N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine

C14H21ClN2 — CID 103969220

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2(CCl)CCCCC2)n1
InChIInChI=1S/C14H21ClN2/c1-12-6-5-7-13(17-12)16-11-14(10-15)8-3-2-4-9-14/h5-7H,2-4,8-11H2,1H3,(H,16,17)
InChIKeyWHEBGAZOWOUEKK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.99
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine

N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine (PubChem CID 103969220) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
PubChem CID103969220
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2(CCl)CCCCC2)n1
InChIInChI=1S/C14H21ClN2/c1-12-6-5-7-13(17-12)16-11-14(10-15)8-3-2-4-9-14/h5-7H,2-4,8-11H2,1H3,(H,16,17)
InChIKeyWHEBGAZOWOUEKK-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103969232
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-2-amine
CID 113294666
N-[[1-(chloromethyl)cyclohexyl]methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787922
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
CID 106550702
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 115363600
5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 115363614
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyridin-2-amine
CID 115366027
1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 79260980
N-[[1-(chloromethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103969249

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine (CID 103969220) is N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine is Cc1cccc(NCC2(CCl)CCCCC2)n1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
The InChIKey is WHEBGAZOWOUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-6-5-7-13(17-12)16-11-14(10-15)8-3-2-4-9-14/h5-7H,2-4,8-11H2,1H3,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine?
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 103969220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).