N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine

C14H21ClN2 — CID 79255512

IUPACN-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1cc(Cl)ccn1)CC1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-17(10-12-5-3-2-4-6-12)11-14-9-13(15)7-8-16-14/h7-9,12H,2-6,10-11H2,1H3
InChIKeySEXGHFQFYBTZIW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine

N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 79255512) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
PubChem CID79255512
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1cc(Cl)ccn1)CC1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-17(10-12-5-3-2-4-6-12)11-14-9-13(15)7-8-16-14/h7-9,12H,2-6,10-11H2,1H3
InChIKeySEXGHFQFYBTZIW-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 79255091
3-[[(4-chloro-2-pyridinyl)methyl-methylamino]methyl]cyclobutan-1-ol
CID 79256288
2-[[cyclopentylmethyl(methyl)amino]methyl]pyridin-4-amine
CID 79251445
N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 62045515
N-[(4-chloro-2-pyridinyl)methyl]-N-ethylcyclopentanamine
CID 79255888
N-[(4-chloro-2-pyridinyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 79255497
1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79381503
N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79255921
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
6-[[cyclohexylmethyl(methyl)amino]methyl]pyridin-3-ol
CID 82985897
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 63886876
4-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62861916

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine (CID 79255512) is N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine is CN(Cc1cc(Cl)ccn1)CC1CCCCC1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is SEXGHFQFYBTZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(10-12-5-3-2-4-6-12)11-14-9-13(15)7-8-16-14/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 79255512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).