(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate

C16H29NO2 — CID 91190672

IUPAC(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate
SMILESCC1(C)CCCC(OC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2)11-6-9-14(10-12-16)19-15(18)17-13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,17,18)
InChIKeyGAAYXQBRCVZHIB-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.40
Rot. Bonds2

About (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate

(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate (PubChem CID 91190672) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate
PubChem CID91190672
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate
SMILESCC1(C)CCCC(OC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-16(2)11-6-9-14(10-12-16)19-15(18)17-13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,17,18)
InChIKeyGAAYXQBRCVZHIB-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclododecyl N-cyclobutylcarbamate
CID 135210614
oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate
CID 126813583
cyclohexyl N-(oxetan-3-yl)carbamate
CID 150702100
cyclopentyl N-(oxetan-3-yl)carbamate
CID 129131220
methyl N-cyclohexadecylcarbamate
CID 131977131
dicyclononyl carbonate
CID 139618210
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
[(3R)-1-ethylpiperidin-3-yl] N-cyclohexylcarbamate
CID 869561
cyclopentylcarbamoperoxoic acid
CID 143557914
cyclohexyl N-ethylcarbamate
CID 22978796

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate?
The IUPAC name of (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate (CID 91190672) is (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate.
What is the SMILES notation for (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate?
The canonical SMILES for (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate is CC1(C)CCCC(OC(=O)NC2CCCCC2)CC1.
What is the InChIKey of (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate?
The InChIKey is GAAYXQBRCVZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2)11-6-9-14(10-12-16)19-15(18)17-13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,17,18).
What are the key properties of (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate?
(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate has a molecular weight of 267.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcycloheptyl) N-cyclohexylcarbamate is sourced from PubChem (CID 91190672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).