2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide

C16H30N4O — CID 119164080

IUPAC2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C/N=C(\N)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H30N4O/c1-19(14-9-5-4-6-10-14)15(21)13-18-16(17)20-11-7-2-3-8-12-20/h14H,2-13H2,1H3,(H2,17,18)
InChIKeyFLUZMIQSWPDSER-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.97
Rot. Bonds3

About 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide

2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 119164080) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
PubChem CID119164080
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)C/N=C(\N)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H30N4O/c1-19(14-9-5-4-6-10-14)15(21)13-18-16(17)20-11-7-2-3-8-12-20/h14H,2-13H2,1H3,(H2,17,18)
InChIKeyFLUZMIQSWPDSER-UHFFFAOYSA-N
XLogP1.97
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
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

2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142484
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142472
2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819691
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142479
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
N'-[2-cyclohexyl-2-(dimethylamino)ethyl]piperidine-1-carboximidamide
CID 111056235
N'-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]azepane-1-carboximidamide
CID 75495270
1-cyclooctyl-1-methylurea
CID 126989312
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464973
N'-[2-[cyclohexyl(methyl)amino]ethyl]morpholine-4-carboximidamide
CID 111057268

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide (CID 119164080) is 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide is CN(C(=O)C/N=C(\N)N1CCCCCC1)C1CCCCC1.
What is the InChIKey of 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is FLUZMIQSWPDSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-19(14-9-5-4-6-10-14)15(21)13-18-16(17)20-11-7-2-3-8-12-20/h14H,2-13H2,1H3,(H2,17,18).
What are the key properties of 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 294.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 119164080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).