5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

C11H21N3 — CID 79521849

IUPAC5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)C1CN=C(N)N1CC1CC1
InChIInChI=1S/C11H21N3/c1-3-8(2)10-6-13-11(12)14(10)7-9-4-5-9/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyKCFPREUOBNLIOV-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.44
Rot. Bonds4

About 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79521849) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79521849
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)C1CN=C(N)N1CC1CC1
InChIInChI=1S/C11H21N3/c1-3-8(2)10-6-13-11(12)14(10)7-9-4-5-9/h8-10H,3-7H2,1-2H3,(H2,12,13)
InChIKeyKCFPREUOBNLIOV-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (CID 79521849) is 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is CCC(C)C1CN=C(N)N1CC1CC1.
What is the InChIKey of 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is KCFPREUOBNLIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-8(2)10-6-13-11(12)14(10)7-9-4-5-9/h8-10H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79521849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).