1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine

C9H16N4O — CID 64872844

IUPAC1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
SMILESCC(CCc1ccco1)/N=C(\N)NN
InChIInChI=1S/C9H16N4O/c1-7(12-9(10)13-11)4-5-8-3-2-6-14-8/h2-3,6-7H,4-5,11H2,1H3,(H3,10,12,13)
InChIKeyXIKCBHXXYZKFQZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds4

About 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine

1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine (PubChem CID 64872844) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine.

Molecular Properties

Compound Name1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
PubChem CID64872844
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
SMILESCC(CCc1ccco1)/N=C(\N)NN
InChIInChI=1S/C9H16N4O/c1-7(12-9(10)13-11)4-5-8-3-2-6-14-8/h2-3,6-7H,4-5,11H2,1H3,(H3,10,12,13)
InChIKeyXIKCBHXXYZKFQZ-UHFFFAOYSA-N
XLogP0.38
TPSA89.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(furan-2-yl)butan-2-yl]butanimidamide
CID 63177351
N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
CID 55158629
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
2-[4-(furan-2-yl)butan-2-ylamino]oxyacetamide
CID 112673041
2-(3-methylhexyl)furan
CID 12840321
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 116511400
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine?
The IUPAC name of 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine (CID 64872844) is 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine.
What is the SMILES notation for 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine?
The canonical SMILES for 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine is CC(CCc1ccco1)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine?
The InChIKey is XIKCBHXXYZKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(12-9(10)13-11)4-5-8-3-2-6-14-8/h2-3,6-7H,4-5,11H2,1H3,(H3,10,12,13).
What are the key properties of 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine?
1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine has a molecular weight of 196.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine is sourced from PubChem (CID 64872844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).