N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine

C11H17ClN2 — CID 62472154

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cccnc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-4-8-14(2)9-10-6-5-7-13-11(10)12/h5-7H,3-4,8-9H2,1-2H3
InChIKeyBPCPSWJLEQUWTC-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.97
Rot. Bonds5

About N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine

N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine (PubChem CID 62472154) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
PubChem CID62472154
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cccnc1Cl
InChIInChI=1S/C11H17ClN2/c1-3-4-8-14(2)9-10-6-5-7-13-11(10)12/h5-7H,3-4,8-9H2,1-2H3
InChIKeyBPCPSWJLEQUWTC-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.97
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

N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
N-[(2-chloro-3-pyridinyl)methyl]-N-ethylpropan-1-amine
CID 62470730
N'-[(2-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62469659
2-chloro-3-pentylpyridine
CID 54505218
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
CID 62470184
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
N-methyl-N-[(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 10631178
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine (CID 62472154) is N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cccnc1Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine?
The InChIKey is BPCPSWJLEQUWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-3-4-8-14(2)9-10-6-5-7-13-11(10)12/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine?
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine has a molecular weight of 212.72 g/mol, XLogP of 2.97, 5 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-methylbutan-1-amine is sourced from PubChem (CID 62472154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).