[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate

C16H30N2O2 — CID 143251131

IUPAC[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate
SMILESCC/C=C\C(=C/C(C)C(C)N(C)C)OC(=O)N(C)CC
InChIInChI=1S/C16H30N2O2/c1-8-10-11-15(20-16(19)18(7)9-2)12-13(3)14(4)17(5)6/h10-14H,8-9H2,1-7H3/b11-10-,15-12+
InChIKeyHZRVOCHWPVWVCN-WTPCJXRQSA-N
MW282.43 g/mol
LogP3.51
Rot. Bonds7

About [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate

[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate (PubChem CID 143251131) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate
PubChem CID143251131
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate
SMILESCC/C=C\C(=C/C(C)C(C)N(C)C)OC(=O)N(C)CC
InChIInChI=1S/C16H30N2O2/c1-8-10-11-15(20-16(19)18(7)9-2)12-13(3)14(4)17(5)6/h10-14H,8-9H2,1-7H3/b11-10-,15-12+
InChIKeyHZRVOCHWPVWVCN-WTPCJXRQSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3Z)-6-methylhepta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727156
tert-butyl 4-methoxy-2-propan-2-yl-2H-pyridine-1-carboxylate
CID 49782228
[3-[(1S)-1-(dimethylamino)ethyl]cyclohexa-1,5-dien-1-yl] N-ethyl-N-methylcarbamate
CID 68184909
[(3E)-5-methylidenehepta-1,3-dien-3-yl] N-ethyl-N-methylcarbamate
CID 168180885
(1E)-4-methyl-1-vinyl-1-pentenyl diisopropylcarbamate
CID 15727157
[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631608
[6-[1-(dimethylamino)ethyl]cyclohepta-1,3,6-trien-1-yl] N-ethyl-N-methylcarbamate
CID 143626765

Frequently Asked Questions

What is the IUPAC name of [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate (CID 143251131) is [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate is CC/C=C\C(=C/C(C)C(C)N(C)C)OC(=O)N(C)CC.
What is the InChIKey of [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate?
The InChIKey is HZRVOCHWPVWVCN-WTPCJXRQSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-8-10-11-15(20-16(19)18(7)9-2)12-13(3)14(4)17(5)6/h10-14H,8-9H2,1-7H3/b11-10-,15-12+.
What are the key properties of [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate?
[(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate has a molecular weight of 282.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-8-(dimethylamino)-7-methylnona-3,5-dien-5-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 143251131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).