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

C18H34N6 — CID 118735463

IUPAC(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CCC(CN2C(N)=NC[C@@H]2CCCCN2CCN=C2N)CC1
InChIInChI=1S/C18H34N6/c1-14-5-7-15(8-6-14)13-24-16(12-22-18(24)20)4-2-3-10-23-11-9-21-17(23)19/h14-16H,2-13H2,1H3,(H2,19,21)(H2,20,22)/t14?,15?,16-/m0/s1
InChIKeyKERUZQRTTDBTPE-GPANFISMSA-N
MW334.51 g/mol
LogP1.61
Rot. Bonds7

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

(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 118735463) has the molecular formula C18H34N6 and a molecular weight of 334.51 g/mol. Its IUPAC name is (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID118735463
Molecular FormulaC18H34N6
Molecular Weight334.51 g/mol
Exact Mass334.28
IUPAC Name(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CCC(CN2C(N)=NC[C@@H]2CCCCN2CCN=C2N)CC1
InChIInChI=1S/C18H34N6/c1-14-5-7-15(8-6-14)13-24-16(12-22-18(24)20)4-2-3-10-23-11-9-21-17(23)19/h14-16H,2-13H2,1H3,(H2,19,21)(H2,20,22)/t14?,15?,16-/m0/s1
InChIKeyKERUZQRTTDBTPE-GPANFISMSA-N
XLogP1.61
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.61
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-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine (CID 118735463) is (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine is CC1CCC(CN2C(N)=NC[C@@H]2CCCCN2CCN=C2N)CC1.
What is the InChIKey of (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is KERUZQRTTDBTPE-GPANFISMSA-N. The full InChI is InChI=1S/C18H34N6/c1-14-5-7-15(8-6-14)13-24-16(12-22-18(24)20)4-2-3-10-23-11-9-21-17(23)19/h14-16H,2-13H2,1H3,(H2,19,21)(H2,20,22)/t14?,15?,16-/m0/s1.
What are the key properties of (5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine?
(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 334.51 g/mol, XLogP of 1.61, 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-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 118735463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).