4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine

C18H35NO — CID 115846851

IUPAC4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCC1)CC1CCOCC1
InChIInChI=1S/C18H35NO/c1-2-12-19-18(15-17-10-13-20-14-11-17)9-8-16-6-4-3-5-7-16/h16-19H,2-15H2,1H3
InChIKeyFYQSGAAAOMOLPM-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds8

About 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine

4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine (PubChem CID 115846851) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
PubChem CID115846851
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCC1)CC1CCOCC1
InChIInChI=1S/C18H35NO/c1-2-12-19-18(15-17-10-13-20-14-11-17)9-8-16-6-4-3-5-7-16/h16-19H,2-15H2,1H3
InChIKeyFYQSGAAAOMOLPM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Related Compounds

1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
CID 79092648
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine (CID 115846851) is 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCCC1)CC1CCOCC1.
What is the InChIKey of 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine?
The InChIKey is FYQSGAAAOMOLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-12-19-18(15-17-10-13-20-14-11-17)9-8-16-6-4-3-5-7-16/h16-19H,2-15H2,1H3.
What are the key properties of 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine?
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 115846851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).