N-ethyl-1-(4-propylcyclohexyl)octan-1-amine

C19H39N — CID 65423776

IUPACN-ethyl-1-(4-propylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(NCC)C1CCC(CCC)CC1
InChIInChI=1S/C19H39N/c1-4-7-8-9-10-12-19(20-6-3)18-15-13-17(11-5-2)14-16-18/h17-20H,4-16H2,1-3H3
InChIKeyHAGUOLGSCWHBFO-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.93
Rot. Bonds11

About N-ethyl-1-(4-propylcyclohexyl)octan-1-amine

N-ethyl-1-(4-propylcyclohexyl)octan-1-amine (PubChem CID 65423776) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-ethyl-1-(4-propylcyclohexyl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propylcyclohexyl)octan-1-amine
PubChem CID65423776
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-ethyl-1-(4-propylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(NCC)C1CCC(CCC)CC1
InChIInChI=1S/C19H39N/c1-4-7-8-9-10-12-19(20-6-3)18-15-13-17(11-5-2)14-16-18/h17-20H,4-16H2,1-3H3
InChIKeyHAGUOLGSCWHBFO-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-(4-butylcyclohexyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820297
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propylcyclohexyl)octan-1-amine?
The IUPAC name of N-ethyl-1-(4-propylcyclohexyl)octan-1-amine (CID 65423776) is N-ethyl-1-(4-propylcyclohexyl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propylcyclohexyl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(4-propylcyclohexyl)octan-1-amine is CCCCCCCC(NCC)C1CCC(CCC)CC1.
What is the InChIKey of N-ethyl-1-(4-propylcyclohexyl)octan-1-amine?
The InChIKey is HAGUOLGSCWHBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-7-8-9-10-12-19(20-6-3)18-15-13-17(11-5-2)14-16-18/h17-20H,4-16H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propylcyclohexyl)octan-1-amine?
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propylcyclohexyl)octan-1-amine is sourced from PubChem (CID 65423776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).