(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

C17H32N6 — CID 118735454

IUPAC(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1CCCC[C@H]1CN=C(N)N1CC1CCCCC1
InChIInChI=1S/C17H32N6/c18-16-20-9-11-22(16)10-5-4-8-15-12-21-17(19)23(15)13-14-6-2-1-3-7-14/h14-15H,1-13H2,(H2,18,20)(H2,19,21)/t15-/m0/s1
InChIKeyHDXKWDSZYKUPEO-HNNXBMFYSA-N
MW320.49 g/mol
LogP1.37
Rot. Bonds7

About (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 118735454) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID118735454
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1CCCC[C@H]1CN=C(N)N1CC1CCCCC1
InChIInChI=1S/C17H32N6/c18-16-20-9-11-22(16)10-5-4-8-15-12-21-17(19)23(15)13-14-6-2-1-3-7-14/h14-15H,1-13H2,(H2,18,20)(H2,19,21)/t15-/m0/s1
InChIKeyHDXKWDSZYKUPEO-HNNXBMFYSA-N
XLogP1.37
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (CID 118735454) is (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCCN1CCCC[C@H]1CN=C(N)N1CC1CCCCC1.
What is the InChIKey of (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HDXKWDSZYKUPEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N6/c18-16-20-9-11-22(16)10-5-4-8-15-12-21-17(19)23(15)13-14-6-2-1-3-7-14/h14-15H,1-13H2,(H2,18,20)(H2,19,21)/t15-/m0/s1.
What are the key properties of (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 320.49 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 118735454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).