2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide

C9H17ClN2O — CID 13017040

IUPAC2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide
SMILESCC(C)C(=NNC(=O)CCl)C(C)C
InChIInChI=1S/C9H17ClN2O/c1-6(2)9(7(3)4)12-11-8(13)5-10/h6-7H,5H2,1-4H3,(H,11,13)
InChIKeyXPBFFNOUNILEIR-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide

2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide (PubChem CID 13017040) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide
PubChem CID13017040
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide
SMILESCC(C)C(=NNC(=O)CCl)C(C)C
InChIInChI=1S/C9H17ClN2O/c1-6(2)9(7(3)4)12-11-8(13)5-10/h6-7H,5H2,1-4H3,(H,11,13)
InChIKeyXPBFFNOUNILEIR-UHFFFAOYSA-N
XLogP2.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-5-methylhexan-2-ylideneamino]acetamide
CID 134896934
2-chloro-N-[(E)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 9555151
N-[(E)-4-methylpentan-2-ylideneamino]acetamide
CID 6010222
N-[(Z)-4-methylpentan-2-ylideneamino]propanamide
CID 22613525
2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide
CID 22613547
N-(4-methylpentan-2-ylideneamino)propanamide
CID 54143465
2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide
CID 54221156
2-methyl-N-[(Z)-4-methylpentan-2-ylideneamino]propanamide
CID 87260324
N-(2,4-dimethylpentan-3-ylideneamino)-2-methylpropanamide
CID 145758226
N-[(E)-4-methylpentan-2-ylideneamino]propanamide
CID 173219356
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 319823
N-(2,4-dimethylpentan-3-ylideneamino)acetamide
CID 3552289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
The IUPAC name of 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide (CID 13017040) is 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide is CC(C)C(=NNC(=O)CCl)C(C)C.
What is the InChIKey of 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
The InChIKey is XPBFFNOUNILEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-6(2)9(7(3)4)12-11-8(13)5-10/h6-7H,5H2,1-4H3,(H,11,13).
What are the key properties of 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide?
2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide has a molecular weight of 204.70 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylpentan-3-ylideneamino)acetamide is sourced from PubChem (CID 13017040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).