1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine

C19H40N2 — CID 79063346

IUPAC1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCCCC(CC)CC(NC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C19H40N2/c1-7-9-12-17(8-2)14-18(20-4)19(21(5)6)13-10-11-16(3)15-19/h16-18,20H,7-15H2,1-6H3
InChIKeyBZLDRSASSFRIAA-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds9

About 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine

1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79063346) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79063346
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCCCC(CC)CC(NC)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C19H40N2/c1-7-9-12-17(8-2)14-18(20-4)19(21(5)6)13-10-11-16(3)15-19/h16-18,20H,7-15H2,1-6H3
InChIKeyBZLDRSASSFRIAA-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)-3-methylcyclohexyl]-3-ethylheptan-1-ol
CID 79074822
N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
CID 79074998
1-[3-ethyl-1-(methylamino)pentyl]-N,N,4-trimethylcyclohexan-1-amine
CID 82922643
N,N,3-trimethyl-1-[1-(methylamino)hex-5-enyl]cyclohexan-1-amine
CID 79074031
1-(1-hydrazinyl-3-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 105243702
1-[2-(4-chlorophenyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79062833
N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
1-[2-methoxy-1-(propylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79570649
N,N,3-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011187
1-[2-cyclobutyl-1-(ethylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074775
1-[2-(1-ethylimidazol-2-yl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79752550
1-[1-(ethylamino)oct-7-enyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107009396

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79063346) is 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine is CCCCC(CC)CC(NC)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is BZLDRSASSFRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-9-12-17(8-2)14-18(20-4)19(21(5)6)13-10-11-16(3)15-19/h16-18,20H,7-15H2,1-6H3.
What are the key properties of 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-1-(methylamino)heptyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79063346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).