N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine

C14H21ClN2 — CID 62470734

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1cccnc1Cl)C1CCCCCC1
InChIInChI=1S/C14H21ClN2/c1-17(13-8-4-2-3-5-9-13)11-12-7-6-10-16-14(12)15/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeySZKUEHFDLJZQPA-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.89
Rot. Bonds3

About N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine

N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine (PubChem CID 62470734) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
PubChem CID62470734
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1cccnc1Cl)C1CCCCCC1
InChIInChI=1S/C14H21ClN2/c1-17(13-8-4-2-3-5-9-13)11-12-7-6-10-16-14(12)15/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeySZKUEHFDLJZQPA-UHFFFAOYSA-N
XLogP3.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.89
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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Related Compounds

4-N-[(2-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121431
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
3-[[methyl-(4-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62465216
[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite
CID 102064196
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
N-[(2-methanehydrazonoylphenyl)methyl]-N-methylcyclohexanamine
CID 168529451
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine (CID 62470734) is N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine is CN(Cc1cccnc1Cl)C1CCCCCC1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine?
The InChIKey is SZKUEHFDLJZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(13-8-4-2-3-5-9-13)11-12-7-6-10-16-14(12)15/h6-7,10,13H,2-5,8-9,11H2,1H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine?
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine has a molecular weight of 252.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 62470734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).