N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine

C21H29N3O — CID 42394037

IUPACN-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine
SMILESCOc1cccc(CNCc2cccnc2N(C)C2CCCCC2)c1
InChIInChI=1S/C21H29N3O/c1-24(19-10-4-3-5-11-19)21-18(9-7-13-23-21)16-22-15-17-8-6-12-20(14-17)25-2/h6-9,12-14,19,22H,3-5,10-11,15-16H2,1-2H3
InChIKeyXHVFUARFBRNEGM-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.15
Rot. Bonds7

About N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine

N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine (PubChem CID 42394037) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine
PubChem CID42394037
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine
SMILESCOc1cccc(CNCc2cccnc2N(C)C2CCCCC2)c1
InChIInChI=1S/C21H29N3O/c1-24(19-10-4-3-5-11-19)21-18(9-7-13-23-21)16-22-15-17-8-6-12-20(14-17)25-2/h6-9,12-14,19,22H,3-5,10-11,15-16H2,1-2H3
InChIKeyXHVFUARFBRNEGM-UHFFFAOYSA-N
XLogP4.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
CID 47615971
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542
(2S)-1-[cyclohexyl(methyl)amino]-3-[3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenoxy]propan-2-ol
CID 26322303
4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 56743989
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine (CID 42394037) is N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine is COc1cccc(CNCc2cccnc2N(C)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine?
The InChIKey is XHVFUARFBRNEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-24(19-10-4-3-5-11-19)21-18(9-7-13-23-21)16-22-15-17-8-6-12-20(14-17)25-2/h6-9,12-14,19,22H,3-5,10-11,15-16H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine?
N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine has a molecular weight of 339.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 42394037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).