N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine

C14H23N3 — CID 116952366

IUPACN-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(NC)c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-15-13-5-3-11(4-6-13)14(16-2)12-7-9-17-10-8-12/h7-11,13-16H,3-6H2,1-2H3
InChIKeyMYJFOWUMRUHBCD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.12
Rot. Bonds4

About N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine

N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine (PubChem CID 116952366) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine
PubChem CID116952366
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(C(NC)c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-15-13-5-3-11(4-6-13)14(16-2)12-7-9-17-10-8-12/h7-11,13-16H,3-6H2,1-2H3
InChIKeyMYJFOWUMRUHBCD-UHFFFAOYSA-N
XLogP2.12
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
CID 116952360
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
2-[[cyclopropyl(pyridin-4-yl)methyl]amino]ethanol
CID 121230237
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine (CID 116952366) is N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine is CNC1CCC(C(NC)c2ccncc2)CC1.
What is the InChIKey of N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is MYJFOWUMRUHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-13-5-3-11(4-6-13)14(16-2)12-7-9-17-10-8-12/h7-11,13-16H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine?
N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methylamino(pyridin-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116952366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).