3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine

C13H22N4O — CID 116514766

IUPAC3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine
SMILESCCCC/N=C(\NN)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H22N4O/c1-2-3-8-15-13(16-14)17(11-6-7-11)10-12-5-4-9-18-12/h4-5,9,11H,2-3,6-8,10,14H2,1H3,(H,15,16)
InChIKeyPTQZQUZAGFUAMQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine

3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine (PubChem CID 116514766) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine
PubChem CID116514766
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine
SMILESCCCC/N=C(\NN)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H22N4O/c1-2-3-8-15-13(16-14)17(11-6-7-11)10-12-5-4-9-18-12/h4-5,9,11H,2-3,6-8,10,14H2,1H3,(H,15,16)
InChIKeyPTQZQUZAGFUAMQ-UHFFFAOYSA-N
XLogP1.86
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 104886998
1-butyl-3-cyclopentyl-2-[2-(furan-2-yl)ethyl]-1-methylguanidine
CID 110053348
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 114292137
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1-methylcyclopentane-1-carboxamide
CID 82763929
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine?
The IUPAC name of 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine (CID 116514766) is 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine is CCCC/N=C(\NN)N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine?
The InChIKey is PTQZQUZAGFUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-8-15-13(16-14)17(11-6-7-11)10-12-5-4-9-18-12/h4-5,9,11H,2-3,6-8,10,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine?
3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine has a molecular weight of 250.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-butyl-1-cyclopropyl-1-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 116514766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).