(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine

C12H20N2 — CID 28648178

IUPAC(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
SMILESCC(C)[C@H](C)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H20N2/c1-9(2)10(3)14-11(4)12-7-5-6-8-13-12/h5-11,14H,1-4H3/t10-,11+/m0/s1
InChIKeyVPMAHOBWYAEFAT-WDEREUQCSA-N
MW192.31 g/mol
LogP2.78
Rot. Bonds4

About (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine

(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine (PubChem CID 28648178) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
PubChem CID28648178
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
SMILESCC(C)[C@H](C)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H20N2/c1-9(2)10(3)14-11(4)12-7-5-6-8-13-12/h5-11,14H,1-4H3/t10-,11+/m0/s1
InChIKeyVPMAHOBWYAEFAT-WDEREUQCSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 104865186
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
N'-hydroxy-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanimidamide
CID 81407035

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
The IUPAC name of (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine (CID 28648178) is (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
The canonical SMILES for (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine is CC(C)[C@H](C)N[C@H](C)c1ccccn1.
What is the InChIKey of (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
The InChIKey is VPMAHOBWYAEFAT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)10(3)14-11(4)12-7-5-6-8-13-12/h5-11,14H,1-4H3/t10-,11+/m0/s1.
What are the key properties of (2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine?
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.78, 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-[(1R)-1-pyridin-2-ylethyl]butan-2-amine is sourced from PubChem (CID 28648178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).