2-[[amino(cyclopentyl)methylidene]amino]propanamide

C9H17N3O — CID 63176035

IUPAC2-[[amino(cyclopentyl)methylidene]amino]propanamide
SMILESCC(/N=C(\N)C1CCCC1)C(N)=O
InChIInChI=1S/C9H17N3O/c1-6(9(11)13)12-8(10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,10,12)(H2,11,13)
InChIKeyZANJHLRAKRVRJM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.41
Rot. Bonds3

About 2-[[amino(cyclopentyl)methylidene]amino]propanamide

2-[[amino(cyclopentyl)methylidene]amino]propanamide (PubChem CID 63176035) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[[amino(cyclopentyl)methylidene]amino]propanamide.

Molecular Properties

Compound Name2-[[amino(cyclopentyl)methylidene]amino]propanamide
PubChem CID63176035
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[[amino(cyclopentyl)methylidene]amino]propanamide
SMILESCC(/N=C(\N)C1CCCC1)C(N)=O
InChIInChI=1S/C9H17N3O/c1-6(9(11)13)12-8(10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,10,12)(H2,11,13)
InChIKeyZANJHLRAKRVRJM-UHFFFAOYSA-N
XLogP0.41
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]propanamide?
The IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]propanamide (CID 63176035) is 2-[[amino(cyclopentyl)methylidene]amino]propanamide.
What is the SMILES notation for 2-[[amino(cyclopentyl)methylidene]amino]propanamide?
The canonical SMILES for 2-[[amino(cyclopentyl)methylidene]amino]propanamide is CC(/N=C(\N)C1CCCC1)C(N)=O.
What is the InChIKey of 2-[[amino(cyclopentyl)methylidene]amino]propanamide?
The InChIKey is ZANJHLRAKRVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(9(11)13)12-8(10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H2,10,12)(H2,11,13).
What are the key properties of 2-[[amino(cyclopentyl)methylidene]amino]propanamide?
2-[[amino(cyclopentyl)methylidene]amino]propanamide has a molecular weight of 183.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopentyl)methylidene]amino]propanamide is sourced from PubChem (CID 63176035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).