[(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate

C14H21NO2 — CID 102294089

IUPAC[(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate
SMILESC=CCN(CC=C)[C@@H]1CC=CC[C@H]1OC(C)=O
InChIInChI=1S/C14H21NO2/c1-4-10-15(11-5-2)13-8-6-7-9-14(13)17-12(3)16/h4-7,13-14H,1-2,8-11H2,3H3/t13-,14-/m1/s1
InChIKeyUUPMRUFMKFFBGX-ZIAGYGMSSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds6

About [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate

[(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate (PubChem CID 102294089) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate
PubChem CID102294089
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate
SMILESC=CCN(CC=C)[C@@H]1CC=CC[C@H]1OC(C)=O
InChIInChI=1S/C14H21NO2/c1-4-10-15(11-5-2)13-8-6-7-9-14(13)17-12(3)16/h4-7,13-14H,1-2,8-11H2,3H3/t13-,14-/m1/s1
InChIKeyUUPMRUFMKFFBGX-ZIAGYGMSSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Microgrewiapine A 3-Acetate
CID 71578973
2-Cyclohexene-1,4-diaminium, 5,6-bis(acetyloxy)-N,N,N,N',N',N'-hexamethyl-, diiodide, (1-alpha,2-beta,3-alpha,6-beta)-
CID 3071590
1,4-Cyclohexanediaminium, 2,3-bis(acetyloxy)-N,N,N,N',N',N'-hexamethyl-, diiodide, (1-alpha,2-beta,3-alpha,6-alpha)-
CID 3071592
tert-butyl (2S)-2-[(1S)-1-acetyloxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134859693
[(1R,6S)-5,6-diacetyloxy-4-(trimethylazaniumyl)cyclohex-2-en-1-yl]-trimethylazanium
CID 3071591
Acetic acid, 9-methyl-9-aza-bicyclo[3.3.1]non-6-en-2-yl ester
CID 564938
N-ethyl-N-methyl-6-propan-2-yloxycyclohex-2-en-1-amine
CID 89019468
6-methoxy-N,N-dimethylcyclohex-3-en-1-amine
CID 144608699
[(1S,4R,5R,6R)-5,6-diacetyloxy-4-(trimethylazaniumyl)cyclohex-2-en-1-yl]-trimethylazanium
CID 3071593
[2-(Diethylamino)cyclohex-3-en-1-yl] acetate
CID 10560450
[(1R,2R)-2-(diethylamino)cyclohex-3-en-1-yl] acetate
CID 12732254
Methyl 2-[cyclohex-2-en-1-yl(methyl)amino]acetate
CID 13474780

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate?
The IUPAC name of [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate (CID 102294089) is [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate.
What is the SMILES notation for [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate?
The canonical SMILES for [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate is C=CCN(CC=C)[C@@H]1CC=CC[C@H]1OC(C)=O.
What is the InChIKey of [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate?
The InChIKey is UUPMRUFMKFFBGX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15(11-5-2)13-8-6-7-9-14(13)17-12(3)16/h4-7,13-14H,1-2,8-11H2,3H3/t13-,14-/m1/s1.
What are the key properties of [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate?
[(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate has a molecular weight of 235.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-3-en-1-yl] acetate is sourced from PubChem (CID 102294089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).