N-(3-cycloheptyloxypropyl)cyclohexanamine

C16H31NO — CID 62583654

IUPACN-(3-cycloheptyloxypropyl)cyclohexanamine
SMILESC1CCC(NCCCOC2CCCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-7-12-16(11-6-1)18-14-8-13-17-15-9-4-3-5-10-15/h15-17H,1-14H2
InChIKeyCFSCNLIPSFOGDM-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds6

About N-(3-cycloheptyloxypropyl)cyclohexanamine

N-(3-cycloheptyloxypropyl)cyclohexanamine (PubChem CID 62583654) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(3-cycloheptyloxypropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-cycloheptyloxypropyl)cyclohexanamine
PubChem CID62583654
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(3-cycloheptyloxypropyl)cyclohexanamine
SMILESC1CCC(NCCCOC2CCCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-7-12-16(11-6-1)18-14-8-13-17-15-9-4-3-5-10-15/h15-17H,1-14H2
InChIKeyCFSCNLIPSFOGDM-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
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

N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cyclohexyloxypropyl)thian-4-amine
CID 43394944
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
1-N-(3-cyclohexyloxypropyl)cyclohexane-1,3-diamine
CID 79458447
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
N-(3-cyclopentyloxypropyl)thian-4-amine;hydrochloride
CID 115598277
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine
CID 113369357
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359

Frequently Asked Questions

What is the IUPAC name of N-(3-cycloheptyloxypropyl)cyclohexanamine?
The IUPAC name of N-(3-cycloheptyloxypropyl)cyclohexanamine (CID 62583654) is N-(3-cycloheptyloxypropyl)cyclohexanamine.
What is the SMILES notation for N-(3-cycloheptyloxypropyl)cyclohexanamine?
The canonical SMILES for N-(3-cycloheptyloxypropyl)cyclohexanamine is C1CCC(NCCCOC2CCCCCC2)CC1.
What is the InChIKey of N-(3-cycloheptyloxypropyl)cyclohexanamine?
The InChIKey is CFSCNLIPSFOGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-7-12-16(11-6-1)18-14-8-13-17-15-9-4-3-5-10-15/h15-17H,1-14H2.
What are the key properties of N-(3-cycloheptyloxypropyl)cyclohexanamine?
N-(3-cycloheptyloxypropyl)cyclohexanamine has a molecular weight of 253.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cycloheptyloxypropyl)cyclohexanamine is sourced from PubChem (CID 62583654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).