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

C16H26N2 — CID 78935534

IUPAC2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C16H26N2/c1-12-8-4-6-10-15(12)18(3)16-11-7-5-9-14(16)13(2)17/h5,7,9,11-13,15H,4,6,8,10,17H2,1-3H3/t12?,13-,15?/m1/s1
InChIKeyGZKIHNXRMXEVOU-JVWICGRDSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds3

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

2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline (PubChem CID 78935534) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline
PubChem CID78935534
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C16H26N2/c1-12-8-4-6-10-15(12)18(3)16-11-7-5-9-14(16)13(2)17/h5,7,9,11-13,15H,4,6,8,10,17H2,1-3H3/t12?,13-,15?/m1/s1
InChIKeyGZKIHNXRMXEVOU-JVWICGRDSA-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
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 78934792
N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55004836
2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde
CID 55005178
1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 55005375
2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine
CID 63734627
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline (CID 78935534) is 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline is CC1CCCCC1N(C)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is GZKIHNXRMXEVOU-JVWICGRDSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-4-6-10-15(12)18(3)16-11-7-5-9-14(16)13(2)17/h5,7,9,11-13,15H,4,6,8,10,17H2,1-3H3/t12?,13-,15?/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline?
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-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-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 78935534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).