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

C14H28N4 — CID 23640805

IUPAC(5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNCCCC[C@H]1CN=C(N)N1CC1CCCCC1
InChIInChI=1S/C14H28N4/c15-9-5-4-8-13-10-17-14(16)18(13)11-12-6-2-1-3-7-12/h12-13H,1-11,15H2,(H2,16,17)/t13-/m0/s1
InChIKeyJUWXESMGVXGIRT-ZDUSSCGKSA-N
MW252.41 g/mol
LogP1.69
Rot. Bonds6

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

(5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640805) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640805
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name(5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNCCCC[C@H]1CN=C(N)N1CC1CCCCC1
InChIInChI=1S/C14H28N4/c15-9-5-4-8-13-10-17-14(16)18(13)11-12-6-2-1-3-7-12/h12-13H,1-11,15H2,(H2,16,17)/t13-/m0/s1
InChIKeyJUWXESMGVXGIRT-ZDUSSCGKSA-N
XLogP1.69
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.69
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-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (CID 23640805) is (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is NCCCC[C@H]1CN=C(N)N1CC1CCCCC1.
What is the InChIKey of (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JUWXESMGVXGIRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N4/c15-9-5-4-8-13-10-17-14(16)18(13)11-12-6-2-1-3-7-12/h12-13H,1-11,15H2,(H2,16,17)/t13-/m0/s1.
What are the key properties of (5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-(4-aminobutyl)-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 252.41 g/mol, XLogP of 1.69, 6 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-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).