benzyl carbamate;N-prop-2-enylcyclohexanamine

C17H26N2O2 — CID 156861851

IUPACbenzyl carbamate;N-prop-2-enylcyclohexanamine
SMILESC=CCNC1CCCCC1.NC(=O)OCc1ccccc1
InChIInChI=1S/C9H17N.C8H9NO2/c1-2-8-10-9-6-4-3-5-7-9;9-8(10)11-6-7-4-2-1-3-5-7/h2,9-10H,1,3-8H2;1-5H,6H2,(H2,9,10)
InChIKeyHJZQEPXTUFSZAA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.38
Rot. Bonds5

About benzyl carbamate;N-prop-2-enylcyclohexanamine

benzyl carbamate;N-prop-2-enylcyclohexanamine (PubChem CID 156861851) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl carbamate;N-prop-2-enylcyclohexanamine.

Molecular Properties

Compound Namebenzyl carbamate;N-prop-2-enylcyclohexanamine
PubChem CID156861851
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl carbamate;N-prop-2-enylcyclohexanamine
SMILESC=CCNC1CCCCC1.NC(=O)OCc1ccccc1
InChIInChI=1S/C9H17N.C8H9NO2/c1-2-8-10-9-6-4-3-5-7-9;9-8(10)11-6-7-4-2-1-3-5-7/h2,9-10H,1,3-8H2;1-5H,6H2,(H2,9,10)
InChIKeyHJZQEPXTUFSZAA-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
(4-phenylphenyl)methyl carbamate
CID 123751479
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
benzyl carbamate;pent-4-en-1-ol
CID 155699875
benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
CID 160872437
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl cyclododecylsulfamoylformate
CID 166991953
benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
CID 84576697
benzyl (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate
CID 58473027
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;N-prop-2-enylcyclohexanamine?
The IUPAC name of benzyl carbamate;N-prop-2-enylcyclohexanamine (CID 156861851) is benzyl carbamate;N-prop-2-enylcyclohexanamine.
What is the SMILES notation for benzyl carbamate;N-prop-2-enylcyclohexanamine?
The canonical SMILES for benzyl carbamate;N-prop-2-enylcyclohexanamine is C=CCNC1CCCCC1.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;N-prop-2-enylcyclohexanamine?
The InChIKey is HJZQEPXTUFSZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H9NO2/c1-2-8-10-9-6-4-3-5-7-9;9-8(10)11-6-7-4-2-1-3-5-7/h2,9-10H,1,3-8H2;1-5H,6H2,(H2,9,10).
What are the key properties of benzyl carbamate;N-prop-2-enylcyclohexanamine?
benzyl carbamate;N-prop-2-enylcyclohexanamine has a molecular weight of 290.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;N-prop-2-enylcyclohexanamine is sourced from PubChem (CID 156861851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).