N'-amino-3-cyclopentyl-4-oxobutanimidamide

C9H17N3O — CID 144957693

IUPACN'-amino-3-cyclopentyl-4-oxobutanimidamide
SMILESN/N=C(\N)CC(C=O)C1CCCC1
InChIInChI=1S/C9H17N3O/c10-9(12-11)5-8(6-13)7-3-1-2-4-7/h6-8H,1-5,11H2,(H2,10,12)
InChIKeyGUXOXKJZEMLFGM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.61
Rot. Bonds4

About N'-amino-3-cyclopentyl-4-oxobutanimidamide

N'-amino-3-cyclopentyl-4-oxobutanimidamide (PubChem CID 144957693) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N'-amino-3-cyclopentyl-4-oxobutanimidamide.

Molecular Properties

Compound NameN'-amino-3-cyclopentyl-4-oxobutanimidamide
PubChem CID144957693
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN'-amino-3-cyclopentyl-4-oxobutanimidamide
SMILESN/N=C(\N)CC(C=O)C1CCCC1
InChIInChI=1S/C9H17N3O/c10-9(12-11)5-8(6-13)7-3-1-2-4-7/h6-8H,1-5,11H2,(H2,10,12)
InChIKeyGUXOXKJZEMLFGM-UHFFFAOYSA-N
XLogP0.61
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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'}

Analyze N'-amino-3-cyclopentyl-4-oxobutanimidamide 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

2-cyclohexyl-4-oxohexanal
CID 54168363
(2S)-2-cyclohexylbutanal
CID 88959248
4-amino-2-cyclohexylbutanal
CID 134207931
3-chloro-2-cyclohexylpropanal
CID 88702401
3-bromo-2-cyclohexylpropanal
CID 174462116
2-cyclopropylbutanedial
CID 141171977
3-amino-2-cyclopentylpropanal;butane;1,1-diethoxyethane
CID 87889060
2-cyclobutyl-N'-ethenylethanimidamide
CID 146321464
(2R)-2-amino-3-cyclopentylpropanal
CID 54251321
2-cyclopentylbut-3-enal
CID 174258878
4-amino-3-cyclopentylbutanoic acid
CID 10130168
(2S)-2-cyclopentyl-2-ethylsulfonylacetaldehyde
CID 99989872

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-cyclopentyl-4-oxobutanimidamide?
The IUPAC name of N'-amino-3-cyclopentyl-4-oxobutanimidamide (CID 144957693) is N'-amino-3-cyclopentyl-4-oxobutanimidamide.
What is the SMILES notation for N'-amino-3-cyclopentyl-4-oxobutanimidamide?
The canonical SMILES for N'-amino-3-cyclopentyl-4-oxobutanimidamide is N/N=C(\N)CC(C=O)C1CCCC1.
What is the InChIKey of N'-amino-3-cyclopentyl-4-oxobutanimidamide?
The InChIKey is GUXOXKJZEMLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-9(12-11)5-8(6-13)7-3-1-2-4-7/h6-8H,1-5,11H2,(H2,10,12).
What are the key properties of N'-amino-3-cyclopentyl-4-oxobutanimidamide?
N'-amino-3-cyclopentyl-4-oxobutanimidamide has a molecular weight of 183.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-cyclopentyl-4-oxobutanimidamide is sourced from PubChem (CID 144957693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).