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

C11H17ClN2 — CID 115614185

IUPACN-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1cccnc1Cl
InChIInChI=1S/C11H17ClN2/c1-8(2)9(3)14-7-10-5-4-6-13-11(10)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyIJBIUUGENOJARO-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.87
Rot. Bonds4

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

N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine (PubChem CID 115614185) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
PubChem CID115614185
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1cccnc1Cl
InChIInChI=1S/C11H17ClN2/c1-8(2)9(3)14-7-10-5-4-6-13-11(10)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyIJBIUUGENOJARO-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
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]propan-2-amine;hydrochloride
CID 115614136
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
CID 115656031
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639950
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
2-[(2-chloro-3-pyridinyl)methylamino]-3-methylpentan-1-ol
CID 115644875
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757397
3-[(2-chloro-3-pyridinyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115644851
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
2,4-dichloro-3-[2-[(2-chloro-3-pyridinyl)methylamino]propyl]benzoic acid
CID 174997931
4-[(2-chloro-3-pyridinyl)methylamino]-4-phenylbutan-1-ol
CID 111449772

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine (CID 115614185) is N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine is CC(C)C(C)NCc1cccnc1Cl.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine?
The InChIKey is IJBIUUGENOJARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-8(2)9(3)14-7-10-5-4-6-13-11(10)12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine?
N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine has a molecular weight of 212.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115614185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).