octa-2,4-dien-1-amine

C8H15N — CID 3847298

IUPACocta-2,4-dien-1-amine
SMILESCCCC=CC=CCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h4-7H,2-3,8-9H2,1H3
InChIKeyZWYVUXQKDLVZBA-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds4

About octa-2,4-dien-1-amine

octa-2,4-dien-1-amine (PubChem CID 3847298) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is octa-2,4-dien-1-amine.

Molecular Properties

Compound Nameocta-2,4-dien-1-amine
PubChem CID3847298
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameocta-2,4-dien-1-amine
SMILESCCCC=CC=CCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h4-7H,2-3,8-9H2,1H3
InChIKeyZWYVUXQKDLVZBA-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

octadeca-10,12,14-trien-1-amine
CID 91215405
(3E,5E)-octa-3,5-dien-1-amine
CID 55254846
(6E)-octadeca-4,6-diene
CID 173243345
(4E)-octa-2,4-dienal
CID 175603405
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
(E)-hex-2-enal
CID 158800846
(3Z)-hepta-1,3-diene
CID 6427773
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(3Z,5E)-nona-3,5-dien-1-yne
CID 100974514

Frequently Asked Questions

What is the IUPAC name of octa-2,4-dien-1-amine?
The IUPAC name of octa-2,4-dien-1-amine (CID 3847298) is octa-2,4-dien-1-amine.
What is the SMILES notation for octa-2,4-dien-1-amine?
The canonical SMILES for octa-2,4-dien-1-amine is CCCC=CC=CCN.
What is the InChIKey of octa-2,4-dien-1-amine?
The InChIKey is ZWYVUXQKDLVZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h4-7H,2-3,8-9H2,1H3.
What are the key properties of octa-2,4-dien-1-amine?
octa-2,4-dien-1-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-2,4-dien-1-amine is sourced from PubChem (CID 3847298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).