N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide

C15H28ClNO — CID 114189113

IUPACN-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC1CCCCC1Cl)CC(C)(C)C
InChIInChI=1S/C15H28ClNO/c1-11(10-15(2,3)4)9-14(18)17-13-8-6-5-7-12(13)16/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyFSVZCGYZRQOSLQ-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.11
Rot. Bonds4

About N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide

N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide (PubChem CID 114189113) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide
PubChem CID114189113
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC1CCCCC1Cl)CC(C)(C)C
InChIInChI=1S/C15H28ClNO/c1-11(10-15(2,3)4)9-14(18)17-13-8-6-5-7-12(13)16/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyFSVZCGYZRQOSLQ-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.11
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-(4-chloro-1,1-dioxothiolan-3-yl)-3,5,5-trimethylhexanamide
CID 78910750
1-cycloheptyl-3,5,5-trimethylhexan-1-one
CID 115794795
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
CID 43603556
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
CID 106444163
N-(2-chlorocyclohexyl)-2,2-dimethylbutanamide
CID 114301240
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
3-amino-N-[2-(hydroxymethyl)cyclohexyl]-5,5-dimethylhexanamide
CID 106361550
5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
CID 107214806
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
3,5,5-trimethylhexanehydrazide
CID 142619235

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide (CID 114189113) is N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC1CCCCC1Cl)CC(C)(C)C.
What is the InChIKey of N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide?
The InChIKey is FSVZCGYZRQOSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-11(10-15(2,3)4)9-14(18)17-13-8-6-5-7-12(13)16/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide?
N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide has a molecular weight of 273.85 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 114189113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).