N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

C14H24ClNO — CID 106355594

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1C2CCCC21
InChIInChI=1S/C14H24ClNO/c1-14(2,3)11(7-8-15)16-13(17)12-9-5-4-6-10(9)12/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyXBIIUWUOKBEFFY-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.19
Rot. Bonds4

About N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 106355594) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID106355594
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1C2CCCC21
InChIInChI=1S/C14H24ClNO/c1-14(2,3)11(7-8-15)16-13(17)12-9-5-4-6-10(9)12/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyXBIIUWUOKBEFFY-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.19
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-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 106355698
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-2-carboxamide
CID 106355814
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 114177886
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106355533
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-3-carboxamide
CID 106355862
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
N-(2,2-dimethyl-4-oxohexan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide;ethane
CID 145466520
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 106355594) is N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is CC(C)(C)C(CCCl)NC(=O)C1C2CCCC21.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XBIIUWUOKBEFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-14(2,3)11(7-8-15)16-13(17)12-9-5-4-6-10(9)12/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 106355594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).