1-cyclohexyl-3-ethyl-N-propylpentan-2-amine

C16H33N — CID 115842226

IUPAC1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CCCCC1)C(CC)CC
InChIInChI=1S/C16H33N/c1-4-12-17-16(15(5-2)6-3)13-14-10-8-7-9-11-14/h14-17H,4-13H2,1-3H3
InChIKeyALHYXAXZEKTSRV-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds8

About 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine

1-cyclohexyl-3-ethyl-N-propylpentan-2-amine (PubChem CID 115842226) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
PubChem CID115842226
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cyclohexyl-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CCCCC1)C(CC)CC
InChIInChI=1S/C16H33N/c1-4-12-17-16(15(5-2)6-3)13-14-10-8-7-9-11-14/h14-17H,4-13H2,1-3H3
InChIKeyALHYXAXZEKTSRV-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-(1,3-dioxolan-2-yl)-3-ethyl-N-propylpentan-2-amine
CID 103546990
1-cyclobutyl-N,3-diethylheptan-2-amine
CID 115863541
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
CID 62605609
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine?
The IUPAC name of 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine (CID 115842226) is 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine is CCCNC(CC1CCCCC1)C(CC)CC.
What is the InChIKey of 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine?
The InChIKey is ALHYXAXZEKTSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-12-17-16(15(5-2)6-3)13-14-10-8-7-9-11-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine?
1-cyclohexyl-3-ethyl-N-propylpentan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-N-propylpentan-2-amine is sourced from PubChem (CID 115842226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).