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

C9H17N3O — CID 63173868

IUPAC2-[[amino(cyclohexyl)methylidene]amino]acetamide
SMILESNC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C9H17N3O/c10-8(13)6-12-9(11)7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,13)(H2,11,12)
InChIKeyBCPHHMKDEGKPGJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.41
Rot. Bonds3

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

2-[[amino(cyclohexyl)methylidene]amino]acetamide (PubChem CID 63173868) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]acetamide
PubChem CID63173868
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]acetamide
SMILESNC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C9H17N3O/c10-8(13)6-12-9(11)7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,13)(H2,11,12)
InChIKeyBCPHHMKDEGKPGJ-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(cyclohexyl)methylidene]amino]acetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]acetamide (CID 63173868) is 2-[[amino(cyclohexyl)methylidene]amino]acetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]acetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]acetamide is NC(=O)C/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]acetamide?
The InChIKey is BCPHHMKDEGKPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-8(13)6-12-9(11)7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,13)(H2,11,12).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]acetamide?
2-[[amino(cyclohexyl)methylidene]amino]acetamide 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(cyclohexyl)methylidene]amino]acetamide is sourced from PubChem (CID 63173868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).