3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate

C14H23NO2 — CID 11470417

IUPAC3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
SMILESCC(C)=CCOC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H23NO2/c1-12(2)9-11-17-14(16)15-10-8-13-6-4-3-5-7-13/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyTVAGADKSFDGEGT-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.57
Rot. Bonds5

About 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate

3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate (PubChem CID 11470417) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
PubChem CID11470417
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
SMILESCC(C)=CCOC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H23NO2/c1-12(2)9-11-17-14(16)15-10-8-13-6-4-3-5-7-13/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyTVAGADKSFDGEGT-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoate
CID 3319039
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
tert-butyl N-[2-[2-(cyclohexen-1-yl)ethylamino]ethyl]carbamate
CID 112688701
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
ethane;1-(4-methylpent-3-enyl)cyclohexene
CID 142984227
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
The IUPAC name of 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate (CID 11470417) is 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate.
What is the SMILES notation for 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
The canonical SMILES for 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate is CC(C)=CCOC(=O)NCCC1=CCCCC1.
What is the InChIKey of 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
The InChIKey is TVAGADKSFDGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)9-11-17-14(16)15-10-8-13-6-4-3-5-7-13/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate?
3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate is sourced from PubChem (CID 11470417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).