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

C7H17N5 — CID 176524871

IUPAC1-carbamimidoyl-2-(3-methylbutyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCC(C)C
InChIInChI=1S/C7H17N5/c1-5(2)3-4-11-7(10)12-6(8)9/h5H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyQRIKZHOOEZGAQY-UHFFFAOYSA-N
MW171.25 g/mol
LogP-0.17
Rot. Bonds3

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

1-carbamimidoyl-2-(3-methylbutyl)guanidine (PubChem CID 176524871) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(3-methylbutyl)guanidine
PubChem CID176524871
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Name1-carbamimidoyl-2-(3-methylbutyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCC(C)C
InChIInChI=1S/C7H17N5/c1-5(2)3-4-11-7(10)12-6(8)9/h5H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyQRIKZHOOEZGAQY-UHFFFAOYSA-N
XLogP-0.17
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
CID 176530165
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
1-carbamimidoyl-2-[[1-(2-methylpropyl)cyclopentyl]methyl]guanidine
CID 176546953
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(3-methylbutyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(3-methylbutyl)guanidine (CID 176524871) is 1-carbamimidoyl-2-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(3-methylbutyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(3-methylbutyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCC(C)C.
What is the InChIKey of 1-carbamimidoyl-2-(3-methylbutyl)guanidine?
The InChIKey is QRIKZHOOEZGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5/c1-5(2)3-4-11-7(10)12-6(8)9/h5H,3-4H2,1-2H3,(H6,8,9,10,11,12).
What are the key properties of 1-carbamimidoyl-2-(3-methylbutyl)guanidine?
1-carbamimidoyl-2-(3-methylbutyl)guanidine has a molecular weight of 171.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(3-methylbutyl)guanidine is sourced from PubChem (CID 176524871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).