(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine

C14H27N3 — CID 102909113

IUPAC(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CC(C(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-6-13(15)14-7-16-9-17(14)8-12(10(2)3)11(4)5/h7,9-13H,6,8,15H2,1-5H3/t13-/m1/s1
InChIKeyKBPOYMRSLWPHLZ-CYBMUJFWSA-N
MW237.39 g/mol
LogP3.22
Rot. Bonds6

About (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine (PubChem CID 102909113) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
PubChem CID102909113
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CC(C(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-6-13(15)14-7-16-9-17(14)8-12(10(2)3)11(4)5/h7,9-13H,6,8,15H2,1-5H3/t13-/m1/s1
InChIKeyKBPOYMRSLWPHLZ-CYBMUJFWSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine (CID 102909113) is (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CC(C(C)C)C(C)C.
What is the InChIKey of (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine?
The InChIKey is KBPOYMRSLWPHLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-13(15)14-7-16-9-17(14)8-12(10(2)3)11(4)5/h7,9-13H,6,8,15H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102909113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).