3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine

C15H29NO — CID 114191125

IUPAC3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
SMILESCC1CCC(NCCCCC2CCOCC2)C1
InChIInChI=1S/C15H29NO/c1-13-5-6-15(12-13)16-9-3-2-4-14-7-10-17-11-8-14/h13-16H,2-12H2,1H3
InChIKeyFLCPAWWKYGHMPB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine

3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine (PubChem CID 114191125) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
PubChem CID114191125
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
SMILESCC1CCC(NCCCCC2CCOCC2)C1
InChIInChI=1S/C15H29NO/c1-13-5-6-15(12-13)16-9-3-2-4-14-7-10-17-11-8-14/h13-16H,2-12H2,1H3
InChIKeyFLCPAWWKYGHMPB-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-octylcyclopentan-1-amine
CID 115566670
cis-(1S,3R)-3-methyl-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 30980577
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
CID 167310676
3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
CID 114547293
3-methyl-N-(2-morpholin-4-ylethyl)cyclopentan-1-amine
CID 23767314
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
CID 65079654
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
CID 114191147
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
3-methyl-N-[2-(oxan-4-yloxy)ethyl]cyclohexan-1-amine
CID 62583661

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine (CID 114191125) is 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine is CC1CCC(NCCCCC2CCOCC2)C1.
What is the InChIKey of 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
The InChIKey is FLCPAWWKYGHMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-5-6-15(12-13)16-9-3-2-4-14-7-10-17-11-8-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine?
3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine is sourced from PubChem (CID 114191125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).