N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine

C16H31NO — CID 103781048

IUPACN-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NC(C)C2CCOCC2)C1
InChIInChI=1S/C16H31NO/c1-12(2)15-5-4-6-16(11-15)17-13(3)14-7-9-18-10-8-14/h12-17H,4-11H2,1-3H3
InChIKeyFNSMYJRUJBMUQZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine

N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 103781048) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID103781048
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NC(C)C2CCOCC2)C1
InChIInChI=1S/C16H31NO/c1-12(2)15-5-4-6-16(11-15)17-13(3)14-7-9-18-10-8-14/h12-17H,4-11H2,1-3H3
InChIKeyFNSMYJRUJBMUQZ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
(1R)-2,2-difluoro-N-propan-2-yl-3-[2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]propyl]cyclohexan-1-amine
CID 146627180
N-[4-(2-fluoropropan-2-yl)cyclohexyl]oxan-3-amine
CID 170209834
N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]-4-methylcyclohexanamine
CID 4911193
N-(oxan-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62386171
N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103777042
N-[oxan-4-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147251
N-(4-methylcyclohexyl)oxan-4-amine
CID 43608415
N-(4-propylcyclohexyl)oxan-4-amine
CID 43609657
N-(4-tert-butylcyclohexyl)oxan-4-amine
CID 43609755
N-(oxolan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 58395049
N-(2-Cyclohexylethyl)tetrahydro-2H-pyran-4-amine
CID 60920032

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 103781048) is N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NC(C)C2CCOCC2)C1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is FNSMYJRUJBMUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)15-5-4-6-16(11-15)17-13(3)14-7-9-18-10-8-14/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 103781048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).