methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C32H71N5 — CID 157479144

IUPACmethane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C9H19N.C8H17N.C7H16N2.C7H15N.CH4/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyBVYKJZSNFUIMCS-UHFFFAOYSA-N
MW525.96 g/mol
LogP6.58
Rot. Bonds4

About methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 157479144) has the molecular formula C32H71N5 and a molecular weight of 525.96 g/mol. Its IUPAC name is methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namemethane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID157479144
Molecular FormulaC32H71N5
Molecular Weight525.96 g/mol
Exact Mass525.57
IUPAC Namemethane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCNCC1
InChIInChI=1S/C9H19N.C8H17N.C7H16N2.C7H15N.CH4/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyBVYKJZSNFUIMCS-UHFFFAOYSA-N
XLogP6.58
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.96
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

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CID 158027588
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CID 162375922
1-propan-2-ylazepane;1-propan-2-ylpiperazine;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 158784340
1-propan-2-ylazepane;1-propan-2-ylazetidine;1-propan-2-ylazocane;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158844378
morpholine;1-propan-2-ylpiperidine
CID 172575779
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
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CID 145053856
ethene;1-propan-2-ylpiperidine
CID 177325228
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
ethane;1-propan-2-ylpyrrolidine
CID 167557798

Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 157479144) is methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCNCC1.
What is the InChIKey of methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is BVYKJZSNFUIMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17N.C7H16N2.C7H15N.CH4/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-3-4-6-8;/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1H4.
What are the key properties of methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 525.96 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157479144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).