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

C10H19N3O — CID 63176092

IUPAC2-[[amino(cyclohexyl)methylidene]amino]propanamide
SMILESCC(/N=C(\N)C1CCCCC1)C(N)=O
InChIInChI=1S/C10H19N3O/c1-7(10(12)14)13-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyKCSYCOGCMUJYAJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.80
Rot. Bonds3

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

2-[[amino(cyclohexyl)methylidene]amino]propanamide (PubChem CID 63176092) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]propanamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]propanamide
PubChem CID63176092
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]propanamide
SMILESCC(/N=C(\N)C1CCCCC1)C(N)=O
InChIInChI=1S/C10H19N3O/c1-7(10(12)14)13-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyKCSYCOGCMUJYAJ-UHFFFAOYSA-N
XLogP0.80
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.80
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(cyclohexyl)methylidene]amino]propanamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]propanamide (CID 63176092) is 2-[[amino(cyclohexyl)methylidene]amino]propanamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]propanamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]propanamide is CC(/N=C(\N)C1CCCCC1)C(N)=O.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]propanamide?
The InChIKey is KCSYCOGCMUJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(10(12)14)13-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]propanamide?
2-[[amino(cyclohexyl)methylidene]amino]propanamide has a molecular weight of 197.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclohexyl)methylidene]amino]propanamide is sourced from PubChem (CID 63176092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).