1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine

C15H23ClN2 — CID 81026182

IUPAC1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1Cc1ccncc1Cl
InChIInChI=1S/C15H23ClN2/c1-11-3-4-13(9-17-2)14(7-11)8-12-5-6-18-10-15(12)16/h5-6,10-11,13-14,17H,3-4,7-9H2,1-2H3
InChIKeyLNZOSJYCJSWNQM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine

1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 81026182) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID81026182
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1Cc1ccncc1Cl
InChIInChI=1S/C15H23ClN2/c1-11-3-4-13(9-17-2)14(7-11)8-12-5-6-18-10-15(12)16/h5-6,10-11,13-14,17H,3-4,7-9H2,1-2H3
InChIKeyLNZOSJYCJSWNQM-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine (CID 81026182) is 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)CC1Cc1ccncc1Cl.
What is the InChIKey of 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is LNZOSJYCJSWNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-3-4-13(9-17-2)14(7-11)8-12-5-6-18-10-15(12)16/h5-6,10-11,13-14,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81026182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).