N-(2-ethylhexyl)-4-propylcyclohexan-1-amine

C17H35N — CID 43080495

IUPACN-(2-ethylhexyl)-4-propylcyclohexan-1-amine
SMILESCCCCC(CC)CNC1CCC(CCC)CC1
InChIInChI=1S/C17H35N/c1-4-7-9-15(6-3)14-18-17-12-10-16(8-5-2)11-13-17/h15-18H,4-14H2,1-3H3
InChIKeyJNNRGGXEKCGAJY-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N-(2-ethylhexyl)-4-propylcyclohexan-1-amine

N-(2-ethylhexyl)-4-propylcyclohexan-1-amine (PubChem CID 43080495) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-propylcyclohexan-1-amine
PubChem CID43080495
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(2-ethylhexyl)-4-propylcyclohexan-1-amine
SMILESCCCCC(CC)CNC1CCC(CCC)CC1
InChIInChI=1S/C17H35N/c1-4-7-9-15(6-3)14-18-17-12-10-16(8-5-2)11-13-17/h15-18H,4-14H2,1-3H3
InChIKeyJNNRGGXEKCGAJY-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-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
2-(cyclopropylamino)-N-(2-ethylhexyl)acetamide
CID 54773137
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
2-(2-ethylhexylamino)cyclohexan-1-ol
CID 60714898

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-4-propylcyclohexan-1-amine (CID 43080495) is N-(2-ethylhexyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-4-propylcyclohexan-1-amine is CCCCC(CC)CNC1CCC(CCC)CC1.
What is the InChIKey of N-(2-ethylhexyl)-4-propylcyclohexan-1-amine?
The InChIKey is JNNRGGXEKCGAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-9-15(6-3)14-18-17-12-10-16(8-5-2)11-13-17/h15-18H,4-14H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-4-propylcyclohexan-1-amine?
N-(2-ethylhexyl)-4-propylcyclohexan-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-(2-ethylhexyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43080495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).