N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine

C17H35N — CID 63492618

IUPACN-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(CC)C1CCCCC1
InChIInChI=1S/C17H35N/c1-4-7-11-15(5-2)14-18-17(6-3)16-12-9-8-10-13-16/h15-18H,4-14H2,1-3H3
InChIKeyINUDYPAMYWYTOZ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine

N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine (PubChem CID 63492618) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
PubChem CID63492618
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(CC)C1CCCCC1
InChIInChI=1S/C17H35N/c1-4-7-11-15(5-2)14-18-17(6-3)16-12-9-8-10-13-16/h15-18H,4-14H2,1-3H3
InChIKeyINUDYPAMYWYTOZ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
3-(1-cyclohexylpropylamino)propane-1,2-diol
CID 76943229
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine (CID 63492618) is N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine is CCCCC(CC)CNC(CC)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine?
The InChIKey is INUDYPAMYWYTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-11-15(5-2)14-18-17(6-3)16-12-9-8-10-13-16/h15-18H,4-14H2,1-3H3.
What are the key properties of N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine?
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 63492618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).