2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C14H28N4O — CID 75482163

IUPAC2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-11(2)16-14(15-10-13(19)18(3)4)17-12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyODXZSUZYMXBYHW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.35
Rot. Bonds4

About 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 75482163) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID75482163
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)N/C(=N\CC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-11(2)16-14(15-10-13(19)18(3)4)17-12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyODXZSUZYMXBYHW-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.35
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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Related Compounds

4H-Imidazol-4-one, 3-cyclohexyl-2-(cyclohexylamino)-3,5-dihydro-
CID 419808
(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)-methylamino]-N-methylpropanamide
CID 135035821
2-[Amino-(cyclohexylamino)methyl]iminoimidazolidine-4,5-dione
CID 137315950
N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide;hydroiodide
CID 109473914
N-cyclohexyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
CID 109473915
N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 109474888
N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide
CID 109474889
2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035413
2-[[(cyclopentylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035895
2-[[(butan-2-ylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035899
2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036351
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036359

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 75482163) is 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is CC(C)N/C(=N\CC(=O)N(C)C)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ODXZSUZYMXBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)16-14(15-10-13(19)18(3)4)17-12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 75482163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).