3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine

C11H18N2 — CID 176663633

IUPAC3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
SMILESCC[C@H](c1cccnc1N)C(C)C
InChIInChI=1S/C11H18N2/c1-4-9(8(2)3)10-6-5-7-13-11(10)12/h5-9H,4H2,1-3H3,(H2,12,13)/t9-/m0/s1
InChIKeyORQZSQAUNHWLDR-VIFPVBQESA-N
MW178.28 g/mol
LogP2.81
Rot. Bonds3

About 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine

3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine (PubChem CID 176663633) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
PubChem CID176663633
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
SMILESCC[C@H](c1cccnc1N)C(C)C
InChIInChI=1S/C11H18N2/c1-4-9(8(2)3)10-6-5-7-13-11(10)12/h5-9H,4H2,1-3H3,(H2,12,13)/t9-/m0/s1
InChIKeyORQZSQAUNHWLDR-VIFPVBQESA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
CID 107443651
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine
CID 176663726
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine?
The IUPAC name of 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine (CID 176663633) is 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine?
The canonical SMILES for 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine is CC[C@H](c1cccnc1N)C(C)C.
What is the InChIKey of 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine?
The InChIKey is ORQZSQAUNHWLDR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9(8(2)3)10-6-5-7-13-11(10)12/h5-9H,4H2,1-3H3,(H2,12,13)/t9-/m0/s1.
What are the key properties of 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine?
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine is sourced from PubChem (CID 176663633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).