2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine

C28H53N — CID 154940211

IUPAC2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine
SMILESCCCC(C)C(CCC)C(C1CCC1)C1CCCC1C(C)CC1CCCC1NC
InChIInChI=1S/C28H53N/c1-6-11-20(3)25(12-7-2)28(22-13-8-14-22)26-17-10-16-24(26)21(4)19-23-15-9-18-27(23)29-5/h20-29H,6-19H2,1-5H3
InChIKeyNFOFSKGDCYVWJE-UHFFFAOYSA-N
MW403.74 g/mol
LogP8.09
Rot. Bonds12

About 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine

2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine (PubChem CID 154940211) has the molecular formula C28H53N and a molecular weight of 403.74 g/mol. Its IUPAC name is 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine
PubChem CID154940211
Molecular FormulaC28H53N
Molecular Weight403.74 g/mol
Exact Mass403.42
IUPAC Name2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine
SMILESCCCC(C)C(CCC)C(C1CCC1)C1CCCC1C(C)CC1CCCC1NC
InChIInChI=1S/C28H53N/c1-6-11-20(3)25(12-7-2)28(22-13-8-14-22)26-17-10-16-24(26)21(4)19-23-15-9-18-27(23)29-5/h20-29H,6-19H2,1-5H3
InChIKeyNFOFSKGDCYVWJE-UHFFFAOYSA-N
XLogP8.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.74
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine with MolForge

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Related Compounds

N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 62267127
ethanol;N-methyl-2-(2-methylpropyl)cyclopentan-1-amine
CID 71071852
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
N-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 61382234
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
cis-(1S,2R)-2-[(1S)-1-ethoxyethyl]-N-methylcyclopentan-1-amine
CID 177009821
N-methyl-2-[2-[methyl(pentan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79570190
N-methyl-2-(4-methylpentyl)cyclohexan-1-amine
CID 83159039
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
(4-methyl-3-propyloctan-2-yl)cyclobutane
CID 20695675

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine (CID 154940211) is 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine is CCCC(C)C(CCC)C(C1CCC1)C1CCCC1C(C)CC1CCCC1NC.
What is the InChIKey of 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine?
The InChIKey is NFOFSKGDCYVWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N/c1-6-11-20(3)25(12-7-2)28(22-13-8-14-22)26-17-10-16-24(26)21(4)19-23-15-9-18-27(23)29-5/h20-29H,6-19H2,1-5H3.
What are the key properties of 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine?
2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine has a molecular weight of 403.74 g/mol, XLogP of 8.09, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-cyclobutyl-3-methyl-2-propylhexyl)cyclopentyl]propyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 154940211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).