(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine

C11H24N4 — CID 23640806

IUPAC(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1CCCCN
InChIInChI=1S/C11H24N4/c1-2-3-8-15-10(6-4-5-7-12)9-14-11(15)13/h10H,2-9,12H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyKZMRMWGZDPCOHV-JTQLQIEISA-N
MW212.34 g/mol
LogP0.91
Rot. Bonds7

About (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine

(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine (PubChem CID 23640806) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine
PubChem CID23640806
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine
SMILESCCCCN1C(N)=NC[C@@H]1CCCCN
InChIInChI=1S/C11H24N4/c1-2-3-8-15-10(6-4-5-7-12)9-14-11(15)13/h10H,2-9,12H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKeyKZMRMWGZDPCOHV-JTQLQIEISA-N
XLogP0.91
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine (CID 23640806) is (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine is CCCCN1C(N)=NC[C@@H]1CCCCN.
What is the InChIKey of (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KZMRMWGZDPCOHV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N4/c1-2-3-8-15-10(6-4-5-7-12)9-14-11(15)13/h10H,2-9,12H2,1H3,(H2,13,14)/t10-/m0/s1.
What are the key properties of (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine?
(5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine has a molecular weight of 212.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-aminobutyl)-1-butyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).