N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine

C14H21ClN2 — CID 65028763

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1(CCl)CCCC(C)C1
InChIInChI=1S/C14H21ClN2/c1-11-5-3-7-14(9-11,10-15)17-13-12(2)6-4-8-16-13/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyLKOQKNUUBCPHBY-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.99
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine

N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine (PubChem CID 65028763) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
PubChem CID65028763
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC1(CCl)CCCC(C)C1
InChIInChI=1S/C14H21ClN2/c1-11-5-3-7-14(9-11,10-15)17-13-12(2)6-4-8-16-13/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyLKOQKNUUBCPHBY-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine (CID 65028763) is N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine is Cc1cccnc1NC1(CCl)CCCC(C)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine?
The InChIKey is LKOQKNUUBCPHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-5-3-7-14(9-11,10-15)17-13-12(2)6-4-8-16-13/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine?
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine has a molecular weight of 252.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 65028763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).