N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine

C18H35NO — CID 43078215

IUPACN-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NCCCOC2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C18H35NO/c1-15-12-16(14-18(2,3)13-15)19-10-7-11-20-17-8-5-4-6-9-17/h15-17,19H,4-14H2,1-3H3
InChIKeyOEACKUORJLOFNV-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine

N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 43078215) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine
PubChem CID43078215
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NCCCOC2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C18H35NO/c1-15-12-16(14-18(2,3)13-15)19-10-7-11-20-17-8-5-4-6-9-17/h15-17,19H,4-14H2,1-3H3
InChIKeyOEACKUORJLOFNV-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
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)-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine (CID 43078215) is N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NCCCOC2CCCCC2)CC(C)(C)C1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is OEACKUORJLOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-15-12-16(14-18(2,3)13-15)19-10-7-11-20-17-8-5-4-6-9-17/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine?
N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 43078215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).