1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine

C17H36N2 — CID 64745254

IUPAC1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
SMILESCCC(CC)CN(CC)C1(CN)CCC(C)C(C)C1
InChIInChI=1S/C17H36N2/c1-6-16(7-2)12-19(8-3)17(13-18)10-9-14(4)15(5)11-17/h14-16H,6-13,18H2,1-5H3
InChIKeyTVEDLSPDXIGHGG-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64745254) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64745254
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
SMILESCCC(CC)CN(CC)C1(CN)CCC(C)C(C)C1
InChIInChI=1S/C17H36N2/c1-6-16(7-2)12-19(8-3)17(13-18)10-9-14(4)15(5)11-17/h14-16H,6-13,18H2,1-5H3
InChIKeyTVEDLSPDXIGHGG-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine
CID 55193794
1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 64745055
1-(aminomethyl)-4-ethyl-N-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82926451
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 64745065
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989
1-(aminomethyl)-N-ethyl-N-(2-ethylhexyl)cyclopentan-1-amine
CID 63480319
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79476725
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63471954
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-2-methoxycyclohexan-1-amine
CID 106872304
2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid
CID 64745297
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine (CID 64745254) is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine is CCC(CC)CN(CC)C1(CN)CCC(C)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is TVEDLSPDXIGHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-16(7-2)12-19(8-3)17(13-18)10-9-14(4)15(5)11-17/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64745254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).