(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine

C11H18N2 — CID 130039959

IUPAC(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
SMILESCc1cnccc1[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-7-13-6-5-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3/t10-/m1/s1
InChIKeyPDLYUIKPAXUSAO-SNVBAGLBSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds1

About (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine

(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine (PubChem CID 130039959) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
PubChem CID130039959
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine
SMILESCc1cnccc1[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-8-7-13-6-5-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3/t10-/m1/s1
InChIKeyPDLYUIKPAXUSAO-SNVBAGLBSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
[2,2-dimethyl-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105203072
4-butan-2-yl-3-methylpyridine
CID 66641815
(3-methyl-4-pyridinyl)-(1,2-thiazol-3-yl)methanamine
CID 130713034
(3-methyl-4-pyridinyl)-(1H-pyrrol-2-yl)methanamine
CID 130528114
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
3-methyl-4-pentan-2-ylpyridine
CID 143325066

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine (CID 130039959) is (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine is Cc1cnccc1[C@@H](N)C(C)(C)C.
What is the InChIKey of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
The InChIKey is PDLYUIKPAXUSAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-7-13-6-5-9(8)10(12)11(2,3)4/h5-7,10H,12H2,1-4H3/t10-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine?
(1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(3-methyl-4-pyridinyl)propan-1-amine is sourced from PubChem (CID 130039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).