1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine

C18H38N2 — CID 79074441

IUPAC1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCCCCCC(NCC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H38N2/c1-6-8-9-10-11-17(19-7-2)18(20(4)5)14-12-16(3)13-15-18/h16-17,19H,6-15H2,1-5H3
InChIKeyBSGSQGFDKVJXIM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds9

About 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine

1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79074441) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79074441
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCCCCCC(NCC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H38N2/c1-6-8-9-10-11-17(19-7-2)18(20(4)5)14-12-16(3)13-15-18/h16-17,19H,6-15H2,1-5H3
InChIKeyBSGSQGFDKVJXIM-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydrazinylhexyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243536
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074963
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107009396
1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062078
N,N,4-trimethyl-1-[1-(methylamino)hex-5-ynyl]cyclohexan-1-amine
CID 113374361
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066377
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775
N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine
CID 79569527
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
CID 115517235
1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79074441) is 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine is CCCCCCC(NCC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is BSGSQGFDKVJXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-9-10-11-17(19-7-2)18(20(4)5)14-12-16(3)13-15-18/h16-17,19H,6-15H2,1-5H3.
What are the key properties of 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).