2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide

C12H24N4O — CID 55064302

IUPAC2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H24N4O/c1-2-8-14-11(17)9-15-12(13)16-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyIMYTYMPPJOCEEX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds5

About 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide

2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide (PubChem CID 55064302) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide
PubChem CID55064302
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H24N4O/c1-2-8-14-11(17)9-15-12(13)16-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,14,17)(H3,13,15,16)
InChIKeyIMYTYMPPJOCEEX-UHFFFAOYSA-N
XLogP0.75
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide (CID 55064302) is 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide?
The InChIKey is IMYTYMPPJOCEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-2-8-14-11(17)9-15-12(13)16-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,14,17)(H3,13,15,16).
What are the key properties of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide?
2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide has a molecular weight of 240.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclohexylamino)methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 55064302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).