3-[[amino-(cyclopentylamino)methylidene]amino]propanamide

C9H18N4O — CID 62364509

IUPAC3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
SMILESNC(=O)CC/N=C(\N)NC1CCCC1
InChIInChI=1S/C9H18N4O/c10-8(14)5-6-12-9(11)13-7-3-1-2-4-7/h7H,1-6H2,(H2,10,14)(H3,11,12,13)
InChIKeyDFVDYPXIOFLLQQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.29
Rot. Bonds4

About 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide

3-[[amino-(cyclopentylamino)methylidene]amino]propanamide (PubChem CID 62364509) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide.

Molecular Properties

Compound Name3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
PubChem CID62364509
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
SMILESNC(=O)CC/N=C(\N)NC1CCCC1
InChIInChI=1S/C9H18N4O/c10-8(14)5-6-12-9(11)13-7-3-1-2-4-7/h7H,1-6H2,(H2,10,14)(H3,11,12,13)
InChIKeyDFVDYPXIOFLLQQ-UHFFFAOYSA-N
XLogP-0.29
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide 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

4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 115600945
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-cyclohexyl-2-ethylguanidine
CID 18727697
propan-2-yl 4-[[amino-(cyclohexylamino)methylidene]amino]butanoate;hydroiodide
CID 110062086
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide?
The IUPAC name of 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide (CID 62364509) is 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide.
What is the SMILES notation for 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide?
The canonical SMILES for 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide is NC(=O)CC/N=C(\N)NC1CCCC1.
What is the InChIKey of 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide?
The InChIKey is DFVDYPXIOFLLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c10-8(14)5-6-12-9(11)13-7-3-1-2-4-7/h7H,1-6H2,(H2,10,14)(H3,11,12,13).
What are the key properties of 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide?
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide has a molecular weight of 198.27 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(cyclopentylamino)methylidene]amino]propanamide is sourced from PubChem (CID 62364509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).