1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine

C68H143N7 — CID 167620999

IUPAC1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine
SMILESCC(C)CCCCN1CCC1.CC(C)CCCCN1CCCC1.CC(C)CCCCN1CCCCC1.CC(C)CCCCN1CCN(C)CC1.CC(C)CCCN1CCCCC1.CC(C)CCCN1CCCCC1C
InChIInChI=1S/C12H26N2.2C12H25N.2C11H23N.C10H21N/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14;1-11(2)7-6-10-13-9-5-4-8-12(13)3;1-12(2)8-4-7-11-13-9-5-3-6-10-13;1-11(2)7-3-4-8-12-9-5-6-10-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-10(2)6-3-4-7-11-8-5-9-11/h12H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;12H,3-11H2,1-2H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3
InChIKeyMKWBNSQPROVKMD-UHFFFAOYSA-N
MW1058.94 g/mol
LogP16.99
Rot. Bonds28

About 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine

1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine (PubChem CID 167620999) has the molecular formula C68H143N7 and a molecular weight of 1058.94 g/mol. Its IUPAC name is 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine
PubChem CID167620999
Molecular FormulaC68H143N7
Molecular Weight1058.94 g/mol
Exact Mass1058.14
IUPAC Name1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine
SMILESCC(C)CCCCN1CCC1.CC(C)CCCCN1CCCC1.CC(C)CCCCN1CCCCC1.CC(C)CCCCN1CCN(C)CC1.CC(C)CCCN1CCCCC1.CC(C)CCCN1CCCCC1C
InChIInChI=1S/C12H26N2.2C12H25N.2C11H23N.C10H21N/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14;1-11(2)7-6-10-13-9-5-4-8-12(13)3;1-12(2)8-4-7-11-13-9-5-3-6-10-13;1-11(2)7-3-4-8-12-9-5-6-10-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-10(2)6-3-4-7-11-8-5-9-11/h12H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;12H,3-11H2,1-2H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3
InChIKeyMKWBNSQPROVKMD-UHFFFAOYSA-N
XLogP16.99
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.94
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

3-(3-Methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
CID 157104981
Methane;1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157230415
3,5-Dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157363951
3,5-Dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157508862
1-Tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 157509433
1-Tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;ethane
CID 157932353
3,5-Dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157971285
1-Methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 158423462
1-Ethylazetidine;1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine
CID 159092421
3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine
CID 159454430
1,3-Dimethylazetidine;1,2-dimethylaziridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine
CID 159723313
3,5-Dimethyl-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 160385311

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine?
The IUPAC name of 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine (CID 167620999) is 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine.
What is the SMILES notation for 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine?
The canonical SMILES for 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine is CC(C)CCCCN1CCC1.CC(C)CCCCN1CCCC1.CC(C)CCCCN1CCCCC1.CC(C)CCCCN1CCN(C)CC1.CC(C)CCCN1CCCCC1.CC(C)CCCN1CCCCC1C.
What is the InChIKey of 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine?
The InChIKey is MKWBNSQPROVKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.2C12H25N.2C11H23N.C10H21N/c1-12(2)6-4-5-7-14-10-8-13(3)9-11-14;1-11(2)7-6-10-13-9-5-4-8-12(13)3;1-12(2)8-4-7-11-13-9-5-3-6-10-13;1-11(2)7-3-4-8-12-9-5-6-10-12;1-11(2)7-6-10-12-8-4-3-5-9-12;1-10(2)6-3-4-7-11-8-5-9-11/h12H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;12H,3-11H2,1-2H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3.
What are the key properties of 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine?
1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine has a molecular weight of 1058.94 g/mol, XLogP of 16.99, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexyl)azetidine;1-(5-methylhexyl)piperidine;1-(5-methylhexyl)pyrrolidine;1-methyl-4-(5-methylhexyl)piperazine;2-methyl-1-(4-methylpentyl)piperidine;1-(4-methylpentyl)piperidine is sourced from PubChem (CID 167620999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).