N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide

C13H24ClNO — CID 106829007

IUPACN-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCCC(C)(CCl)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24ClNO/c1-4-13(3,10-14)15-11(16)12(2)8-6-5-7-9-12/h4-10H2,1-3H3,(H,15,16)
InChIKeyYQKGOQQKLXDRFH-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.48
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106829007) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106829007
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCCC(C)(CCl)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24ClNO/c1-4-13(3,10-14)15-11(16)12(2)8-6-5-7-9-12/h4-10H2,1-3H3,(H,15,16)
InChIKeyYQKGOQQKLXDRFH-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.48
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-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
CID 106828159
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 64549727
N-(1-chloro-2-methylbutan-2-yl)propanamide
CID 114303581
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106827317
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
N-(1-chlorobutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828986
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828674
1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide
CID 91265050
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106829007) is N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide is CCC(C)(CCl)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is YQKGOQQKLXDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-4-13(3,10-14)15-11(16)12(2)8-6-5-7-9-12/h4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 245.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).