(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine

C11H18N2 — CID 99737676

IUPAC(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
SMILESCC(C)(C)C[C@H](N)c1ccccn1
InChIInChI=1S/C11H18N2/c1-11(2,3)8-9(12)10-6-4-5-7-13-10/h4-7,9H,8,12H2,1-3H3/t9-/m0/s1
InChIKeyMDTKLKWYQIPWQQ-VIFPVBQESA-N
MW178.28 g/mol
LogP2.52
Rot. Bonds2

About (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine

(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine (PubChem CID 99737676) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
PubChem CID99737676
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
SMILESCC(C)(C)C[C@H](N)c1ccccn1
InChIInChI=1S/C11H18N2/c1-11(2,3)8-9(12)10-6-4-5-7-13-10/h4-7,9H,8,12H2,1-3H3/t9-/m0/s1
InChIKeyMDTKLKWYQIPWQQ-VIFPVBQESA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-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

5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 130039914
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
6-[(1S)-1-amino-3,3-dimethylbutyl]pyridin-3-ol
CID 130715071
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
CID 71203343

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine (CID 99737676) is (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine is CC(C)(C)C[C@H](N)c1ccccn1.
What is the InChIKey of (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine?
The InChIKey is MDTKLKWYQIPWQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)8-9(12)10-6-4-5-7-13-10/h4-7,9H,8,12H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine?
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 99737676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).