2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide

C14H27FN4O — CID 110036351

IUPAC2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NC1CCCCC1
InChIInChI=1S/C14H27FN4O/c1-19(2)13(20)11-17-14(16-10-6-9-15)18-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyQSYZBUGNTTYSQT-UHFFFAOYSA-N
MW286.39 g/mol
LogP1.30
Rot. Bonds6

About 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036351) has the molecular formula C14H27FN4O and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110036351
Molecular FormulaC14H27FN4O
Molecular Weight286.39 g/mol
Exact Mass286.22
IUPAC Name2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NC1CCCCC1
InChIInChI=1S/C14H27FN4O/c1-19(2)13(20)11-17-14(16-10-6-9-15)18-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyQSYZBUGNTTYSQT-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 51.30
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'}

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Related Compounds

(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)-methylamino]-N-methylpropanamide
CID 135035821
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109376888
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376889
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109377606
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109377607
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-[[butylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033415
2-[[ethylamino-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034931
2-[[(3-fluoropropylamino)-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110035413

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110036351) is 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCCF)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is QSYZBUGNTTYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN4O/c1-19(2)13(20)11-17-14(16-10-6-9-15)18-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 286.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).