1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine

C41H87N5 — CID 158811378

IUPAC1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C11H24N2.C11H23N.C10H21N.C9H19N/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)5-8-10-6-4-7-10/h5-10H2,1-4H3;4-10H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyIUSSGPKIHPUBPU-UHFFFAOYSA-N
MW650.18 g/mol
LogP9.23
Rot. Bonds8

About 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine

1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine (PubChem CID 158811378) has the molecular formula C41H87N5 and a molecular weight of 650.18 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine
PubChem CID158811378
Molecular FormulaC41H87N5
Molecular Weight650.18 g/mol
Exact Mass649.70
IUPAC Name1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C11H24N2.C11H23N.C10H21N.C9H19N/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)5-8-10-6-4-7-10/h5-10H2,1-4H3;4-10H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyIUSSGPKIHPUBPU-UHFFFAOYSA-N
XLogP9.23
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.18
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
8-Propan-2-yl-2-[5-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 156039914
Ethane;methane;3-methyl-1-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine
CID 157729877
CID 157924898
CID 157924898
Bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine
CID 158230157
2,8-Dimethyl-2,8-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[3.5]nonane
CID 158285662
Bis(2,2-dimethylpropane);methane;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine
CID 158654676
1,3-Ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
CID 159252245
1-Tert-butylazetidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 159257681
1-(2-Methylpropyl)azetidine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 159373450
1-Methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159563780
1-Ethyl-4-(4-methylpentyl)piperazine;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrolidine
CID 159833338

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine?
The IUPAC name of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine (CID 158811378) is 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine is CC(C)(C)CCN1CCC1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine?
The InChIKey is IUSSGPKIHPUBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C11H23N.C10H21N.C9H19N/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)5-8-10-6-4-7-10/h5-10H2,1-4H3;4-10H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine?
1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine has a molecular weight of 650.18 g/mol, XLogP of 9.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine is sourced from PubChem (CID 158811378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).