N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine

C16H26N2 — CID 116952360

IUPACN-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(NC)c2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2/c1-12-5-4-6-14(11-12)16(18-3)13-7-9-15(17-2)10-8-13/h4-6,11,13,15-18H,7-10H2,1-3H3
InChIKeyZEGTYKLXGCFGOS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine

N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 116952360) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID116952360
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(NC)c2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2/c1-12-5-4-6-14(11-12)16(18-3)13-7-9-15(17-2)10-8-13/h4-6,11,13,15-18H,7-10H2,1-3H3
InChIKeyZEGTYKLXGCFGOS-UHFFFAOYSA-N
XLogP3.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115789805
N-methyl-1-(2-methylcyclopropyl)-1-(3-methylphenyl)methanamine
CID 65422773
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine
CID 116952366
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine (CID 116952360) is N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine is CNC1CCC(C(NC)c2cccc(C)c2)CC1.
What is the InChIKey of N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is ZEGTYKLXGCFGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-4-6-14(11-12)16(18-3)13-7-9-15(17-2)10-8-13/h4-6,11,13,15-18H,7-10H2,1-3H3.
What are the key properties of N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine?
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116952360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).