(1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine

C12H23N3 — CID 134249438

IUPAC(1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine
SMILESCN[C@H](c1cn(CC(C)C)cn1)C(C)C
InChIInChI=1S/C12H23N3/c1-9(2)6-15-7-11(14-8-15)12(13-5)10(3)4/h7-10,12-13H,6H2,1-5H3/t12-/m0/s1
InChIKeyCBOJSZFOKXZPMM-LBPRGKRZSA-N
MW209.34 g/mol
LogP2.46
Rot. Bonds5

About (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine

(1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine (PubChem CID 134249438) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine
PubChem CID134249438
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine
SMILESCN[C@H](c1cn(CC(C)C)cn1)C(C)C
InChIInChI=1S/C12H23N3/c1-9(2)6-15-7-11(14-8-15)12(13-5)10(3)4/h7-10,12-13H,6H2,1-5H3/t12-/m0/s1
InChIKeyCBOJSZFOKXZPMM-LBPRGKRZSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[1-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876285
1-(2-methylpropyl)imidazol-4-amine;hydrochloride
CID 86276624
4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
CID 159067201
1-ethyl-4-propan-2-ylimidazole
CID 10057571
N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119973176
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
sodium 1-(2-methylpropyl)imidazole-4-sulfinate
CID 165449295
N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097378
4-propan-2-yl-1-propylimidazole
CID 58213384
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719
1-(4-chlorophenyl)-2-[4-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethanol
CID 167863092
2-[(2S)-1-(4-propan-2-ylimidazol-1-yl)propan-2-yl]-1,3-thiazole
CID 163664751

Frequently Asked Questions

What is the IUPAC name of (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine (CID 134249438) is (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine is CN[C@H](c1cn(CC(C)C)cn1)C(C)C.
What is the InChIKey of (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
The InChIKey is CBOJSZFOKXZPMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)6-15-7-11(14-8-15)12(13-5)10(3)4/h7-10,12-13H,6H2,1-5H3/t12-/m0/s1.
What are the key properties of (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
(1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,2-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 134249438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).