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

C16H32N4O — CID 111128977

IUPAC2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCCN/C(=N\CC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C16H32N4O/c1-4-5-9-12-17-16(18-13-15(21)20(2)3)19-14-10-7-6-8-11-14/h14H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyPXRLUQLDFIMFBL-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.13
Rot. Bonds7

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

2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111128977) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111128977
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCCN/C(=N\CC(=O)N(C)C)NC1CCCCC1
InChIInChI=1S/C16H32N4O/c1-4-5-9-12-17-16(18-13-15(21)20(2)3)19-14-10-7-6-8-11-14/h14H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyPXRLUQLDFIMFBL-UHFFFAOYSA-N
XLogP2.13
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[[(3-butoxypropylamino)-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111841524
2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842506
2-[[(cyclopentylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035895
2-[[(cyclopentylamino)-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033795
2-[[(cyclopentylamino)-(2-ethoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842470
2-[[butylamino-(thian-3-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042602
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclopentylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494906
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[butylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111019180
2-[[butylamino-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110042558
2-[[(cyclopentylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035808

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111128977) is 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide is CCCCCN/C(=N\CC(=O)N(C)C)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is PXRLUQLDFIMFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-5-9-12-17-16(18-13-15(21)20(2)3)19-14-10-7-6-8-11-14/h14H,4-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 296.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111128977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).