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

C14H21ClN2 — CID 62045515

IUPACN-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccnc(Cl)c1)CC1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-17(10-12-5-3-2-4-6-12)11-13-7-8-16-14(15)9-13/h7-9,12H,2-6,10-11H2,1H3
InChIKeyIPPAMCKKENUOMM-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.75
Rot. Bonds4

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

N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 62045515) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
PubChem CID62045515
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccnc(Cl)c1)CC1CCCCC1
InChIInChI=1S/C14H21ClN2/c1-17(10-12-5-3-2-4-6-12)11-13-7-8-16-14(15)9-13/h7-9,12H,2-6,10-11H2,1H3
InChIKeyIPPAMCKKENUOMM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine (CID 62045515) is N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine is CN(Cc1ccnc(Cl)c1)CC1CCCCC1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is IPPAMCKKENUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(10-12-5-3-2-4-6-12)11-13-7-8-16-14(15)9-13/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine?
N-[(2-chloro-4-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-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 62045515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).