[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate

C15H24N2O2 — CID 143626765

IUPAC[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1=CC=CCC(C(C)N(C)C)=C1
InChIInChI=1S/C15H24N2O2/c1-6-17(5)15(18)19-14-10-8-7-9-13(11-14)12(2)16(3)4/h7-8,10-12H,6,9H2,1-5H3
InChIKeyMXVZJYBXODJKJP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.80
Rot. Bonds4

About [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate

[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate (PubChem CID 143626765) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate
PubChem CID143626765
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)OC1=CC=CCC(C(C)N(C)C)=C1
InChIInChI=1S/C15H24N2O2/c1-6-17(5)15(18)19-14-10-8-7-9-13(11-14)12(2)16(3)4/h7-8,10-12H,6,9H2,1-5H3
InChIKeyMXVZJYBXODJKJP-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1S)-1-(dimethylamino)ethyl]cyclohexa-1,5-dien-1-yl] N-ethyl-N-methylcarbamate
CID 68184909
3,7-Dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one
CID 142458909
[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate
CID 143251131
6-ethyl-3-propan-2-yl-4H-cyclohepta[d][1,3]oxazol-2-one
CID 143587682
3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143839049
[(3E)-5-methylidenehepta-1,3-dien-3-yl] N-ethyl-N-methylcarbamate
CID 168180885
3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one
CID 168941905
[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631608
[6-[2-(Dimethylamino)propyl]cyclohepta-1,4,6-trien-1-yl] formate
CID 143626767

Frequently Asked Questions

What is the IUPAC name of [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate (CID 143626765) is [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)OC1=CC=CCC(C(C)N(C)C)=C1.
What is the InChIKey of [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate?
The InChIKey is MXVZJYBXODJKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-17(5)15(18)19-14-10-8-7-9-13(11-14)12(2)16(3)4/h7-8,10-12H,6,9H2,1-5H3.
What are the key properties of [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate?
[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 143626765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).