octa-5,7-dien-3-amine

C8H15N — CID 88768699

IUPACocta-5,7-dien-3-amine
SMILESC=CC=CCC(N)CC
InChIInChI=1S/C8H15N/c1-3-5-6-7-8(9)4-2/h3,5-6,8H,1,4,7,9H2,2H3
InChIKeyMZGUDVSEYJMFOC-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds4

About octa-5,7-dien-3-amine

octa-5,7-dien-3-amine (PubChem CID 88768699) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is octa-5,7-dien-3-amine.

Molecular Properties

Compound Nameocta-5,7-dien-3-amine
PubChem CID88768699
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameocta-5,7-dien-3-amine
SMILESC=CC=CCC(N)CC
InChIInChI=1S/C8H15N/c1-3-5-6-7-8(9)4-2/h3,5-6,8H,1,4,7,9H2,2H3
InChIKeyMZGUDVSEYJMFOC-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E)-octa-5,7-dien-3-ol
CID 12576352
(3Z)-6,7-dimethylocta-1,3-diene
CID 145174537
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
6-ethylundeca-1,3,10-triene
CID 123197586
(15E)-octadeca-15,17-dien-6-amine
CID 142684215
(15E)-octadeca-15,17-dien-9-amine
CID 87547455
10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene
CID 142081858
(E)-6-aminooct-3-enoic acid
CID 169196250
cobalt;hexa-1,3-diene
CID 174676950
6-ethyl-10-methyldodeca-1,3-diene
CID 154162767
ethane;methylcyclopropane;(Z)-oct-5-en-3-amine
CID 144829616
[(4E,6Z)-2-aminonona-4,6,8-trienyl] carbamate
CID 144778365

Frequently Asked Questions

What is the IUPAC name of octa-5,7-dien-3-amine?
The IUPAC name of octa-5,7-dien-3-amine (CID 88768699) is octa-5,7-dien-3-amine.
What is the SMILES notation for octa-5,7-dien-3-amine?
The canonical SMILES for octa-5,7-dien-3-amine is C=CC=CCC(N)CC.
What is the InChIKey of octa-5,7-dien-3-amine?
The InChIKey is MZGUDVSEYJMFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-7-8(9)4-2/h3,5-6,8H,1,4,7,9H2,2H3.
What are the key properties of octa-5,7-dien-3-amine?
octa-5,7-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-5,7-dien-3-amine is sourced from PubChem (CID 88768699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).