2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine

C9H19N5 — CID 134372390

IUPAC2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine
SMILESCC(C)C[C@H]1CN(C)C(N=C(N)N)=N1
InChIInChI=1S/C9H19N5/c1-6(2)4-7-5-14(3)9(12-7)13-8(10)11/h6-7H,4-5H2,1-3H3,(H4,10,11,12,13)/t7-/m0/s1
InChIKeyWCPFSLYISPMDMS-ZETCQYMHSA-N
MW197.29 g/mol
LogP-0.02
Rot. Bonds2

About 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine

2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine (PubChem CID 134372390) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine
PubChem CID134372390
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine
SMILESCC(C)C[C@H]1CN(C)C(N=C(N)N)=N1
InChIInChI=1S/C9H19N5/c1-6(2)4-7-5-14(3)9(12-7)13-8(10)11/h6-7H,4-5H2,1-3H3,(H4,10,11,12,13)/t7-/m0/s1
InChIKeyWCPFSLYISPMDMS-ZETCQYMHSA-N
XLogP-0.02
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine?
The IUPAC name of 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine (CID 134372390) is 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine.
What is the SMILES notation for 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine?
The canonical SMILES for 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine is CC(C)C[C@H]1CN(C)C(N=C(N)N)=N1.
What is the InChIKey of 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine?
The InChIKey is WCPFSLYISPMDMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N5/c1-6(2)4-7-5-14(3)9(12-7)13-8(10)11/h6-7H,4-5H2,1-3H3,(H4,10,11,12,13)/t7-/m0/s1.
What are the key properties of 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine?
2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine has a molecular weight of 197.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-methyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]guanidine is sourced from PubChem (CID 134372390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).