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

C12H19ClN2 — CID 62470184

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1cccnc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-6-10(2)15(3)9-11-7-5-8-14-12(11)13/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyQFQFTMCAHQHLJR-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.36
Rot. Bonds5

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

N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine (PubChem CID 62470184) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
PubChem CID62470184
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1cccnc1Cl
InChIInChI=1S/C12H19ClN2/c1-4-6-10(2)15(3)9-11-7-5-8-14-12(11)13/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeyQFQFTMCAHQHLJR-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.36
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

1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
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-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
2-chloro-3-pentylpyridine
CID 54505218
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine (CID 62470184) is N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine is CCCC(C)N(C)Cc1cccnc1Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine?
The InChIKey is QFQFTMCAHQHLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-6-10(2)15(3)9-11-7-5-8-14-12(11)13/h5,7-8,10H,4,6,9H2,1-3H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine?
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine has a molecular weight of 226.75 g/mol, XLogP of 3.36, 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-methylpentan-2-amine is sourced from PubChem (CID 62470184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).