5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

C13H24ClNO — CID 79358726

IUPAC5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC1(C)C(CNC(=O)CCCCCl)C1(C)C
InChIInChI=1S/C13H24ClNO/c1-12(2)10(13(12,3)4)9-15-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyNRIOHTFZBZTGFG-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (PubChem CID 79358726) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
PubChem CID79358726
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCC1(C)C(CNC(=O)CCCCCl)C1(C)C
InChIInChI=1S/C13H24ClNO/c1-12(2)10(13(12,3)4)9-15-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyNRIOHTFZBZTGFG-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
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 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (CID 79358726) is 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is CC1(C)C(CNC(=O)CCCCCl)C1(C)C.
What is the InChIKey of 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The InChIKey is NRIOHTFZBZTGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-12(2)10(13(12,3)4)9-15-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide has a molecular weight of 245.79 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 79358726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).