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

C13H23N3 — CID 104943185

IUPAC(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCCC(CC1CC1)n1cncc1[C@H](N)CC
InChIInChI=1S/C13H23N3/c1-3-11(7-10-5-6-10)16-9-15-8-13(16)12(14)4-2/h8-12H,3-7,14H2,1-2H3/t11?,12-/m1/s1
InChIKeyFDBNOWATWWQHCI-PIJUOVFKSA-N
MW221.35 g/mol
LogP3.04
Rot. Bonds6

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

(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104943185) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
PubChem CID104943185
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCCC(CC1CC1)n1cncc1[C@H](N)CC
InChIInChI=1S/C13H23N3/c1-3-11(7-10-5-6-10)16-9-15-8-13(16)12(14)4-2/h8-12H,3-7,14H2,1-2H3/t11?,12-/m1/s1
InChIKeyFDBNOWATWWQHCI-PIJUOVFKSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine (CID 104943185) is (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine is CCC(CC1CC1)n1cncc1[C@H](N)CC.
What is the InChIKey of (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is FDBNOWATWWQHCI-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(7-10-5-6-10)16-9-15-8-13(16)12(14)4-2/h8-12H,3-7,14H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).