2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine

C14H23N3 — CID 114706508

IUPAC2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CC(C1CC1)C1CC1
InChIInChI=1S/C14H23N3/c1-14(2,15)13-7-16-9-17(13)8-12(10-3-4-10)11-5-6-11/h7,9-12H,3-6,8,15H2,1-2H3
InChIKeyVQEPVBPDHDZGLX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.51
Rot. Bonds5

About 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine

2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine (PubChem CID 114706508) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
PubChem CID114706508
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CC(C1CC1)C1CC1
InChIInChI=1S/C14H23N3/c1-14(2,15)13-7-16-9-17(13)8-12(10-3-4-10)11-5-6-11/h7,9-12H,3-6,8,15H2,1-2H3
InChIKeyVQEPVBPDHDZGLX-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine (CID 114706508) is 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1CC(C1CC1)C1CC1.
What is the InChIKey of 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is VQEPVBPDHDZGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,15)13-7-16-9-17(13)8-12(10-3-4-10)11-5-6-11/h7,9-12H,3-6,8,15H2,1-2H3.
What are the key properties of 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine?
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114706508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).