1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine

C18H36N2 — CID 79066377

IUPAC1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(C1CCC(C)CC1)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H36N2/c1-5-19-17(16-11-9-15(2)10-12-16)18(20(3)4)13-7-6-8-14-18/h15-17,19H,5-14H2,1-4H3
InChIKeyJOIJJEDKPRKOLP-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds5

About 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066377) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066377
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(C1CCC(C)CC1)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H36N2/c1-5-19-17(16-11-9-15(2)10-12-16)18(20(3)4)13-7-6-8-14-18/h15-17,19H,5-14H2,1-4H3
InChIKeyJOIJJEDKPRKOLP-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(4-methylcyclohexyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070623
1-[cyclopropyl(propylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074927
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
CID 79066378
1-[cycloheptyl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243452
1-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074963
N,N-diethyl-1-[hydrazinyl-(4-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 105242683
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669
1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074441
1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79064554
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775

Frequently Asked Questions

What is the IUPAC name of 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066377) is 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine is CCNC(C1CCC(C)CC1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is JOIJJEDKPRKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-19-17(16-11-9-15(2)10-12-16)18(20(3)4)13-7-6-8-14-18/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylamino-(4-methylcyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).