3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine

C13H22N2 — CID 81399957

IUPAC3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
SMILESC[C@H](NCCC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H22N2/c1-11(12-7-5-6-9-15-12)14-10-8-13(2,3)4/h5-7,9,11,14H,8,10H2,1-4H3/t11-/m0/s1
InChIKeyAMFKXUMHYGOHSN-NSHDSACASA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds4

About 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine

3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine (PubChem CID 81399957) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
PubChem CID81399957
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
SMILESC[C@H](NCCC(C)(C)C)c1ccccn1
InChIInChI=1S/C13H22N2/c1-11(12-7-5-6-9-15-12)14-10-8-13(2,3)4/h5-7,9,11,14H,8,10H2,1-4H3/t11-/m0/s1
InChIKeyAMFKXUMHYGOHSN-NSHDSACASA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-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

N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
2-N,2-N,2-trimethyl-1-N-(1-pyridin-2-ylethyl)propane-1,2-diamine
CID 43203109
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine (CID 81399957) is 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine is C[C@H](NCCC(C)(C)C)c1ccccn1.
What is the InChIKey of 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
The InChIKey is AMFKXUMHYGOHSN-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2/c1-11(12-7-5-6-9-15-12)14-10-8-13(2,3)4/h5-7,9,11,14H,8,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine?
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine is sourced from PubChem (CID 81399957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).