2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine

C10H17N3 — CID 131173099

IUPAC2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine
SMILESCC(C)(C)[C@H](N)c1ncccc1N
InChIInChI=1S/C10H17N3/c1-10(2,3)9(12)8-7(11)5-4-6-13-8/h4-6,9H,11-12H2,1-3H3/t9-/m1/s1
InChIKeyBOHKVZMCAWVNBD-SECBINFHSA-N
MW179.27 g/mol
LogP1.71
Rot. Bonds1

About 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine

2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine (PubChem CID 131173099) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine
PubChem CID131173099
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine
SMILESCC(C)(C)[C@H](N)c1ncccc1N
InChIInChI=1S/C10H17N3/c1-10(2,3)9(12)8-7(11)5-4-6-13-8/h4-6,9H,11-12H2,1-3H3/t9-/m1/s1
InChIKeyBOHKVZMCAWVNBD-SECBINFHSA-N
XLogP1.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 130689786
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
2-[(1R)-1-aminopropyl]pyridin-3-amine
CID 131036341
(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
CID 70212263
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
2-octan-4-ylpyridin-3-amine
CID 134178133
3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
CID 63198435
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-methylaniline
CID 130723578
2-(3,3-dimethylbutan-2-yl)-3-iodopyridine
CID 176739161
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine?
The IUPAC name of 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine (CID 131173099) is 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine.
What is the SMILES notation for 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine?
The canonical SMILES for 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine is CC(C)(C)[C@H](N)c1ncccc1N.
What is the InChIKey of 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine?
The InChIKey is BOHKVZMCAWVNBD-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)9(12)8-7(11)5-4-6-13-8/h4-6,9H,11-12H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine?
2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine has a molecular weight of 179.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine is sourced from PubChem (CID 131173099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).