N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide

C12H24ClNO — CID 106168655

IUPACN-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(CC)CCCl
InChIInChI=1S/C12H24ClNO/c1-5-10(3)9-11(15)14-12(4,6-2)7-8-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyRBFXNKZXEYSNND-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.34
Rot. Bonds7

About N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide

N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide (PubChem CID 106168655) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
PubChem CID106168655
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(CC)CCCl
InChIInChI=1S/C12H24ClNO/c1-5-10(3)9-11(15)14-12(4,6-2)7-8-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyRBFXNKZXEYSNND-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875408
N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
CID 106168242
3-methyl-5-(3-methylpentan-3-ylamino)-5-oxopentanoic acid
CID 106328220
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
5-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 64549300
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide
CID 114874782

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide (CID 106168655) is N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(C)(CC)CCCl.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide?
The InChIKey is RBFXNKZXEYSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-5-10(3)9-11(15)14-12(4,6-2)7-8-13/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide?
N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide has a molecular weight of 233.78 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide is sourced from PubChem (CID 106168655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).