2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide

C13H24N4O — CID 111090889

IUPAC2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
SMILESC=C(C)CN/C(N)=N/CC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N4O/c1-10(2)8-15-13(14)16-9-12(18)17-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,17,18)(H3,14,15,16)
InChIKeyAJTHMZGDKLLGSR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.92
Rot. Bonds5

About 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide

2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide (PubChem CID 111090889) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
PubChem CID111090889
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
SMILESC=C(C)CN/C(N)=N/CC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N4O/c1-10(2)8-15-13(14)16-9-12(18)17-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,17,18)(H3,14,15,16)
InChIKeyAJTHMZGDKLLGSR-UHFFFAOYSA-N
XLogP0.92
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.92
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075498
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090902
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090850
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090838
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090861
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide (CID 111090889) is 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide is C=C(C)CN/C(N)=N/CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide?
The InChIKey is AJTHMZGDKLLGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)8-15-13(14)16-9-12(18)17-11-6-4-3-5-7-11/h11H,1,3-9H2,2H3,(H,17,18)(H3,14,15,16).
What are the key properties of 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide?
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide has a molecular weight of 252.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 111090889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).