1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine

C19H39N — CID 65414527

IUPAC1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39N/c1-6-8-9-10-11-18(20-7-2)16-12-14-17(15-13-16)19(3,4)5/h16-18,20H,6-15H2,1-5H3
InChIKeyDCZHNFHGOJNOSI-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.79
Rot. Bonds8

About 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine

1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine (PubChem CID 65414527) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
PubChem CID65414527
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
SMILESCCCCCCC(NCC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39N/c1-6-8-9-10-11-18(20-7-2)16-12-14-17(15-13-16)19(3,4)5/h16-18,20H,6-15H2,1-5H3
InChIKeyDCZHNFHGOJNOSI-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.79
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-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
N-ethyl-1-(3-ethylcyclopentyl)hexan-1-amine
CID 65409647
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine (CID 65414527) is 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine is CCCCCCC(NCC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine?
The InChIKey is DCZHNFHGOJNOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-6-8-9-10-11-18(20-7-2)16-12-14-17(15-13-16)19(3,4)5/h16-18,20H,6-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine?
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine is sourced from PubChem (CID 65414527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).