2-chloro-N'-(5-oxohexyl)ethanimidamide

C8H15ClN2O — CID 59366474

IUPAC2-chloro-N'-(5-oxohexyl)ethanimidamide
SMILESCC(=O)CCCC/N=C(/N)CCl
InChIInChI=1S/C8H15ClN2O/c1-7(12)4-2-3-5-11-8(10)6-9/h2-6H2,1H3,(H2,10,11)
InChIKeyXKVMNPRKWANIND-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.34
Rot. Bonds6

About 2-chloro-N'-(5-oxohexyl)ethanimidamide

2-chloro-N'-(5-oxohexyl)ethanimidamide (PubChem CID 59366474) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-chloro-N'-(5-oxohexyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(5-oxohexyl)ethanimidamide
PubChem CID59366474
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-chloro-N'-(5-oxohexyl)ethanimidamide
SMILESCC(=O)CCCC/N=C(/N)CCl
InChIInChI=1S/C8H15ClN2O/c1-7(12)4-2-3-5-11-8(10)6-9/h2-6H2,1H3,(H2,10,11)
InChIKeyXKVMNPRKWANIND-UHFFFAOYSA-N
XLogP1.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
12-chlorododecan-2-one
CID 162396741
2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride
CID 86626230
2-[(1-amino-2-chloroethylidene)amino]acetamide
CID 55291375
methyl (2S)-2-acetamido-4-[(1-amino-2-chloroethylidene)amino]butanoate
CID 71718659
16-azidohexadecan-2-one
CID 56624829
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366
2-chloro-N'-ethylethanimidamide;hydrochloride
CID 14317600
2-(5-oxoheptyl)guanidine
CID 89070451
N-methylpropan-1-amine;6-oxoheptanamide
CID 142298315
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(5-oxohexyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(5-oxohexyl)ethanimidamide (CID 59366474) is 2-chloro-N'-(5-oxohexyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(5-oxohexyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(5-oxohexyl)ethanimidamide is CC(=O)CCCC/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-(5-oxohexyl)ethanimidamide?
The InChIKey is XKVMNPRKWANIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-7(12)4-2-3-5-11-8(10)6-9/h2-6H2,1H3,(H2,10,11).
What are the key properties of 2-chloro-N'-(5-oxohexyl)ethanimidamide?
2-chloro-N'-(5-oxohexyl)ethanimidamide has a molecular weight of 190.67 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(5-oxohexyl)ethanimidamide is sourced from PubChem (CID 59366474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).