cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine

C23H33N3 — CID 59989994

IUPACcis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
SMILESC[C@H]1CCCC[C@H]1N(C)Cc1ccc(CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C23H33N3/c1-19-8-4-5-10-23(19)26(3)17-21-13-11-20(12-14-21)16-25(2)18-22-9-6-7-15-24-22/h6-7,9,11-15,19,23H,4-5,8,10,16-18H2,1-3H3/t19-,23+/m0/s1
InChIKeyAJCWGDJNTWUOOY-WMZHIEFXSA-N
MW351.54 g/mol
LogP4.72
Rot. Bonds7

About cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine

cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine (PubChem CID 59989994) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
PubChem CID59989994
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Namecis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
SMILESC[C@H]1CCCC[C@H]1N(C)Cc1ccc(CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C23H33N3/c1-19-8-4-5-10-23(19)26(3)17-21-13-11-20(12-14-21)16-25(2)18-22-9-6-7-15-24-22/h6-7,9,11-15,19,23H,4-5,8,10,16-18H2,1-3H3/t19-,23+/m0/s1
InChIKeyAJCWGDJNTWUOOY-WMZHIEFXSA-N
XLogP4.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-[[methyl-[[4-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]phenyl]methyl]amino]methyl]pyridin-3-ol
CID 59989984
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442
1-[4-[(11-fluoro-1,7-dimethyl-1,4,7-triazacyclotetradec-4-yl)methyl]phenyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 20610179
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-[(6-chloro-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 79046170
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine (CID 59989994) is cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine is C[C@H]1CCCC[C@H]1N(C)Cc1ccc(CN(C)Cc2ccccn2)cc1.
What is the InChIKey of cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
The InChIKey is AJCWGDJNTWUOOY-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H33N3/c1-19-8-4-5-10-23(19)26(3)17-21-13-11-20(12-14-21)16-25(2)18-22-9-6-7-15-24-22/h6-7,9,11-15,19,23H,4-5,8,10,16-18H2,1-3H3/t19-,23+/m0/s1.
What are the key properties of cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine has a molecular weight of 351.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 59989994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).