[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate

C15H27NO2 — CID 23631608

IUPAC[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
SMILESCC/C=C(/C=C(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H27NO2/c1-8-9-14(10-11(2)3)18-15(17)16(12(4)5)13(6)7/h9-10,12-13H,8H2,1-7H3/b14-9-
InChIKeyNBWACFDXFUEAIS-ZROIWOOFSA-N
MW253.39 g/mol
LogP4.50
Rot. Bonds5

About [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate

[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 23631608) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
PubChem CID23631608
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
SMILESCC/C=C(/C=C(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H27NO2/c1-8-9-14(10-11(2)3)18-15(17)16(12(4)5)13(6)7/h9-10,12-13H,8H2,1-7H3/b14-9-
InChIKeyNBWACFDXFUEAIS-ZROIWOOFSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
[(3Z)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727158
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate
CID 118892625
2,4,6-trimethylhepta-2,4,6-trien-3-yl N,N-dimethylcarbamate
CID 123912105
pentalen-2-yl N,N-diethylcarbamate
CID 141609776
[(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
3,5-Diethylcyclohepta[d][1,3]oxazol-2-one;ethane
CID 143588694
3-ethyl-5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-4-methyl-1,3-oxazol-2-one
CID 143588735
3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143839049
(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane
CID 144545928

Frequently Asked Questions

What is the IUPAC name of [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate (CID 23631608) is [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate is CC/C=C(/C=C(C)C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is NBWACFDXFUEAIS-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H27NO2/c1-8-9-14(10-11(2)3)18-15(17)16(12(4)5)13(6)7/h9-10,12-13H,8H2,1-7H3/b14-9-.
What are the key properties of [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate?
[(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 253.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-2-methylhepta-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 23631608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).