(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine

C11H18N2 — CID 94470637

IUPAC(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
SMILESCC(C)C[C@H](N)Cc1cccnc1
InChIInChI=1S/C11H18N2/c1-9(2)6-11(12)7-10-4-3-5-13-8-10/h3-5,8-9,11H,6-7,12H2,1-2H3/t11-/m0/s1
InChIKeyARGUFPXBJVXPOF-NSHDSACASA-N
MW178.28 g/mol
LogP2.00
Rot. Bonds4

About (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine

(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine (PubChem CID 94470637) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
PubChem CID94470637
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
SMILESCC(C)C[C@H](N)Cc1cccnc1
InChIInChI=1S/C11H18N2/c1-9(2)6-11(12)7-10-4-3-5-13-8-10/h3-5,8-9,11H,6-7,12H2,1-2H3/t11-/m0/s1
InChIKeyARGUFPXBJVXPOF-NSHDSACASA-N
XLogP2.00
TPSA38.91 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
4-methyl-1-pyrimidin-5-ylpentan-2-amine
CID 62753193
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine (CID 94470637) is (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine is CC(C)C[C@H](N)Cc1cccnc1.
What is the InChIKey of (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine?
The InChIKey is ARGUFPXBJVXPOF-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)6-11(12)7-10-4-3-5-13-8-10/h3-5,8-9,11H,6-7,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine?
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-pyridin-3-ylpentan-2-amine is sourced from PubChem (CID 94470637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).