N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine

C15H29NO — CID 64501250

IUPACN-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCCOC2CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-13-8-9-14(12-13)16-10-5-11-17-15-6-3-2-4-7-15/h13-16H,2-12H2,1H3
InChIKeyFWFVHMQOMXGIBQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine

N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine (PubChem CID 64501250) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
PubChem CID64501250
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCCOC2CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-13-8-9-14(12-13)16-10-5-11-17-15-6-3-2-4-7-15/h13-16H,2-12H2,1H3
InChIKeyFWFVHMQOMXGIBQ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine (CID 64501250) is N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine is CC1CCC(NCCCOC2CCCCC2)C1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine?
The InChIKey is FWFVHMQOMXGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-8-9-14(12-13)16-10-5-11-17-15-6-3-2-4-7-15/h13-16H,2-12H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine?
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64501250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).