[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate

C10H16N2O2 — CID 144778365

IUPAC[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate
SMILESC=C/C=C\C=C\CC(N)COC(N)=O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-6-7-9(11)8-14-10(12)13/h2-6,9H,1,7-8,11H2,(H2,12,13)/b4-3-,6-5+
InChIKeyLKNHYKMEWDNNBQ-DNVGVPOPSA-N
MW196.25 g/mol
LogP1.10
Rot. Bonds6

About [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate

[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate (PubChem CID 144778365) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate.

Molecular Properties

Compound Name[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate
PubChem CID144778365
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate
SMILESC=C/C=C\C=C\CC(N)COC(N)=O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-6-7-9(11)8-14-10(12)13/h2-6,9H,1,7-8,11H2,(H2,12,13)/b4-3-,6-5+
InChIKeyLKNHYKMEWDNNBQ-DNVGVPOPSA-N
XLogP1.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octa-5,7-dien-3-amine
CID 88768699
2-ethylidenenona-4,6,8-trienamide
CID 141190387
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
CID 5312395
(3Z,5Z,7Z,9Z)-dodeca-3,5,7,9,11-pentaenoic acid
CID 131839742
[(2R,4E,6Z)-2-amino-4-methylnona-4,6,8-trienyl] N-carbamoylcarbamate
CID 170075606
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
penta-2,4-dienyl hydrogen carbonate
CID 151360859
methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate
CID 143356405
(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
CID 101175233
3-penta-2,4-dienylpentane-2,4-dione
CID 539300
(5E)-octa-5,7-dienamide
CID 15011834
buta-1,3-dienyl carbamate
CID 174727921

Frequently Asked Questions

What is the IUPAC name of [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate?
The IUPAC name of [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate (CID 144778365) is [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate.
What is the SMILES notation for [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate?
The canonical SMILES for [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate is C=C/C=C\C=C\CC(N)COC(N)=O.
What is the InChIKey of [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate?
The InChIKey is LKNHYKMEWDNNBQ-DNVGVPOPSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-5-6-7-9(11)8-14-10(12)13/h2-6,9H,1,7-8,11H2,(H2,12,13)/b4-3-,6-5+.
What are the key properties of [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate?
[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate has a molecular weight of 196.25 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate is sourced from PubChem (CID 144778365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).