2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline

C16H26N2 — CID 78934792

IUPAC2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2ccccc2[C@H](C)N)CC1
InChIInChI=1S/C16H26N2/c1-12-8-10-14(11-9-12)18(3)16-7-5-4-6-15(16)13(2)17/h4-7,12-14H,8-11,17H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyHIEYJLZWKPNDPX-MOKVOYLWSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds3

About 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline

2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 78934792) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID78934792
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(N(C)c2ccccc2[C@H](C)N)CC1
InChIInChI=1S/C16H26N2/c1-12-8-10-14(11-9-12)18(3)16-7-5-4-6-15(16)13(2)17/h4-7,12-14H,8-11,17H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyHIEYJLZWKPNDPX-MOKVOYLWSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
(1R)-1-[2-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 55182840
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 78935534
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
CID 63076254
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
2-(2-aminopropyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63817071
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 43264707

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline (CID 78934792) is 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline is CC1CCC(N(C)c2ccccc2[C@H](C)N)CC1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is HIEYJLZWKPNDPX-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-10-14(11-9-12)18(3)16-7-5-4-6-15(16)13(2)17/h4-7,12-14H,8-11,17H2,1-3H3/t12?,13-,14?/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline?
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 78934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).