N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide

C14H28ClNO — CID 107205672

IUPACN-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)CCCCCCl)C(C)(C)C
InChIInChI=1S/C14H28ClNO/c1-12(14(2,3)4)11-13(17)16(5)10-8-6-7-9-15/h12H,6-11H2,1-5H3
InChIKeyOFMJJPFFMWSJGS-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.93
Rot. Bonds7

About N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide

N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide (PubChem CID 107205672) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide
PubChem CID107205672
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)CCCCCCl)C(C)(C)C
InChIInChI=1S/C14H28ClNO/c1-12(14(2,3)4)11-13(17)16(5)10-8-6-7-9-15/h12H,6-11H2,1-5H3
InChIKeyOFMJJPFFMWSJGS-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide?
The IUPAC name of N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide (CID 107205672) is N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide?
The canonical SMILES for N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide is CC(CC(=O)N(C)CCCCCCl)C(C)(C)C.
What is the InChIKey of N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide?
The InChIKey is OFMJJPFFMWSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-12(14(2,3)4)11-13(17)16(5)10-8-6-7-9-15/h12H,6-11H2,1-5H3.
What are the key properties of N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide?
N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide has a molecular weight of 261.84 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,3,4,4-tetramethylpentanamide is sourced from PubChem (CID 107205672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).