2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine

C10H17N3 — CID 79329495

IUPAC2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine
SMILESCC(=Cc1cncn1C(C)C)CN
InChIInChI=1S/C10H17N3/c1-8(2)13-7-12-6-10(13)4-9(3)5-11/h4,6-8H,5,11H2,1-3H3
InChIKeyROXYQGOLIAZSHZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine

2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine (PubChem CID 79329495) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine
PubChem CID79329495
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine
SMILESCC(=Cc1cncn1C(C)C)CN
InChIInChI=1S/C10H17N3/c1-8(2)13-7-12-6-10(13)4-9(3)5-11/h4,6-8H,5,11H2,1-3H3
InChIKeyROXYQGOLIAZSHZ-UHFFFAOYSA-N
XLogP1.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-(3-propan-2-ylimidazol-4-yl)prop-2-enoic acid
CID 79725697
3-(3-propan-2-ylimidazol-4-yl)prop-2-enal
CID 79331611
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
N-[2-[(3-propan-2-ylimidazol-4-yl)methylidene]butyl]cyclopropanamine
CID 79329224
1-propan-2-yl-5-propylimidazole
CID 139308338
5-(2-amino-1-hydroxyethyl)-3-propan-2-ylpyrimidin-4-one
CID 83880056
(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine
CID 103392253
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162019
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
CID 106938076
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
2-(aminomethyl)-1-piperidin-1-yl-3-(3-propan-2-ylimidazol-4-yl)propan-1-one
CID 66131489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine (CID 79329495) is 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine is CC(=Cc1cncn1C(C)C)CN.
What is the InChIKey of 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine?
The InChIKey is ROXYQGOLIAZSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)13-7-12-6-10(13)4-9(3)5-11/h4,6-8H,5,11H2,1-3H3.
What are the key properties of 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine?
2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79329495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).