octa-1,5,7-trien-1-amine

C8H13N — CID 76706648

IUPACocta-1,5,7-trien-1-amine
SMILESC=CC=CCCC=CN
InChIInChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h2-4,7-8H,1,5-6,9H2
InChIKeyQLBXWDOZZGTUPC-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds4

About octa-1,5,7-trien-1-amine

octa-1,5,7-trien-1-amine (PubChem CID 76706648) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is octa-1,5,7-trien-1-amine.

Molecular Properties

Compound Nameocta-1,5,7-trien-1-amine
PubChem CID76706648
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Nameocta-1,5,7-trien-1-amine
SMILESC=CC=CCCC=CN
InChIInChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h2-4,7-8H,1,5-6,9H2
InChIKeyQLBXWDOZZGTUPC-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-6-fluorohexa-1,3-diene
CID 147850000
(3Z)-hepta-1,3-diene
CID 6427773
(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
CID 143033225
(3E,7E)-9-methyldeca-1,3,7-triene
CID 101414428
deca-7,9-dien-1-ol
CID 54432323
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
(3E)-8-methylnona-1,3,7-triene
CID 16752433
heptadeca-14,16-dien-1-ol
CID 163204876
pentadeca-12,14-dien-1-ol
CID 163204807
(1Z)-nona-1,8-dien-1-amine
CID 149197195
(1Z,5Z)-hepta-1,5-dien-1-amine
CID 152891623
9-methylundeca-1,3,7,10-tetraene
CID 154197788

Frequently Asked Questions

What is the IUPAC name of octa-1,5,7-trien-1-amine?
The IUPAC name of octa-1,5,7-trien-1-amine (CID 76706648) is octa-1,5,7-trien-1-amine.
What is the SMILES notation for octa-1,5,7-trien-1-amine?
The canonical SMILES for octa-1,5,7-trien-1-amine is C=CC=CCCC=CN.
What is the InChIKey of octa-1,5,7-trien-1-amine?
The InChIKey is QLBXWDOZZGTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-4-5-6-7-8-9/h2-4,7-8H,1,5-6,9H2.
What are the key properties of octa-1,5,7-trien-1-amine?
octa-1,5,7-trien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,5,7-trien-1-amine is sourced from PubChem (CID 76706648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).