(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine

C10H17N3 — CID 104943762

IUPAC(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
SMILESC=CC(C)n1cncc1[C@H](N)CC
InChIInChI=1S/C10H17N3/c1-4-8(3)13-7-12-6-10(13)9(11)5-2/h4,6-9H,1,5,11H2,2-3H3/t8?,9-/m1/s1
InChIKeyDLRNGLOUGSGVML-YGPZHTELSA-N
MW179.27 g/mol
LogP2.04
Rot. Bonds4

About (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine

(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine (PubChem CID 104943762) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
PubChem CID104943762
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
SMILESC=CC(C)n1cncc1[C@H](N)CC
InChIInChI=1S/C10H17N3/c1-4-8(3)13-7-12-6-10(13)9(11)5-2/h4,6-9H,1,5,11H2,2-3H3/t8?,9-/m1/s1
InChIKeyDLRNGLOUGSGVML-YGPZHTELSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104944006
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104942805
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476
(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104944059
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole
CID 142042012

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine?
The IUPAC name of (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine (CID 104943762) is (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine is C=CC(C)n1cncc1[C@H](N)CC.
What is the InChIKey of (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine?
The InChIKey is DLRNGLOUGSGVML-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-8(3)13-7-12-6-10(13)9(11)5-2/h4,6-9H,1,5,11H2,2-3H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine?
(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 104943762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).