N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine

C11H18N2 — CID 78928581

IUPACN-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
SMILESCCC(C)NCc1cccnc1C
InChIInChI=1S/C11H18N2/c1-4-9(2)13-8-11-6-5-7-12-10(11)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyLITLPXOOJYGJLC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds4

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

N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine (PubChem CID 78928581) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
PubChem CID78928581
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
SMILESCCC(C)NCc1cccnc1C
InChIInChI=1S/C11H18N2/c1-4-9(2)13-8-11-6-5-7-12-10(11)3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyLITLPXOOJYGJLC-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]butan-2-amine
CID 82452419
methyl (2S,3S)-3-hydroxy-2-[(2-methyl-3-pyridinyl)methylamino]butanoate
CID 99793349
ethane;3-ethyl-2-methylpyridine
CID 143071594
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[(2-chloro-3-pyridinyl)methyl]-4-methylhexan-2-amine
CID 115656031
2-methyl-3-propylpyridine
CID 18662893
4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
CID 115611326

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine?
The IUPAC name of N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine (CID 78928581) is N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine is CCC(C)NCc1cccnc1C.
What is the InChIKey of N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine?
The InChIKey is LITLPXOOJYGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9(2)13-8-11-6-5-7-12-10(11)3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine?
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 78928581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).