(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine

C11H18N2 — CID 28669868

IUPAC(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCC(C)[C@H](C)NCc1ccncc1
InChIInChI=1S/C11H18N2/c1-9(2)10(3)13-8-11-4-6-12-7-5-11/h4-7,9-10,13H,8H2,1-3H3/t10-/m0/s1
InChIKeyVITLQUNOFGURMO-JTQLQIEISA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds4

About (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine

(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine (PubChem CID 28669868) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
PubChem CID28669868
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCC(C)[C@H](C)NCc1ccncc1
InChIInChI=1S/C11H18N2/c1-9(2)10(3)13-8-11-4-6-12-7-5-11/h4-7,9-10,13H,8H2,1-3H3/t10-/m0/s1
InChIKeyVITLQUNOFGURMO-JTQLQIEISA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
4-methyl-3-(pyridin-4-ylmethylamino)pentan-2-one
CID 143524446
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032
acetic acid;(2S)-3-methyl-2-(pyridin-4-ylmethylamino)butanoic acid
CID 162691317
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
N-phosphanyl-1-pyridin-4-ylmethanamine
CID 144767456
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine?
The IUPAC name of (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine (CID 28669868) is (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine is CC(C)[C@H](C)NCc1ccncc1.
What is the InChIKey of (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine?
The InChIKey is VITLQUNOFGURMO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)10(3)13-8-11-4-6-12-7-5-11/h4-7,9-10,13H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine?
(2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-(pyridin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 28669868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).