1-cyclopropyl-2-(3-methylbutyl)guanidine

C9H19N3 — CID 62362173

IUPAC1-cyclopropyl-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)NC1CC1
InChIInChI=1S/C9H19N3/c1-7(2)5-6-11-9(10)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyKQMTWYOMKDIXOE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds4

About 1-cyclopropyl-2-(3-methylbutyl)guanidine

1-cyclopropyl-2-(3-methylbutyl)guanidine (PubChem CID 62362173) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylbutyl)guanidine
PubChem CID62362173
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-cyclopropyl-2-(3-methylbutyl)guanidine
SMILESCC(C)CC/N=C(\N)NC1CC1
InChIInChI=1S/C9H19N3/c1-7(2)5-6-11-9(10)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyKQMTWYOMKDIXOE-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
2-(3-methylbutyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111085484
1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide
CID 111542699
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411955
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 62362453
1-cyclopropyl-2-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]guanidine
CID 124628876
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylbutyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-methylbutyl)guanidine (CID 62362173) is 1-cyclopropyl-2-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylbutyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-methylbutyl)guanidine is CC(C)CC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylbutyl)guanidine?
The InChIKey is KQMTWYOMKDIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)5-6-11-9(10)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(3-methylbutyl)guanidine?
1-cyclopropyl-2-(3-methylbutyl)guanidine has a molecular weight of 169.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylbutyl)guanidine is sourced from PubChem (CID 62362173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).