octa-3,6-dien-2-amine

C8H15N — CID 91583412

IUPACocta-3,6-dien-2-amine
SMILESCC=CCC=CC(C)N
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8(2)9/h3-4,6-8H,5,9H2,1-2H3
InChIKeyRXJXNWXJNMGNDI-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds3

About octa-3,6-dien-2-amine

octa-3,6-dien-2-amine (PubChem CID 91583412) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is octa-3,6-dien-2-amine.

Molecular Properties

Compound Nameocta-3,6-dien-2-amine
PubChem CID91583412
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameocta-3,6-dien-2-amine
SMILESCC=CCC=CC(C)N
InChIInChI=1S/C8H15N/c1-3-4-5-6-7-8(2)9/h3-4,6-8H,5,9H2,1-2H3
InChIKeyRXJXNWXJNMGNDI-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octa-3,6-dien-2-amine?
The IUPAC name of octa-3,6-dien-2-amine (CID 91583412) is octa-3,6-dien-2-amine.
What is the SMILES notation for octa-3,6-dien-2-amine?
The canonical SMILES for octa-3,6-dien-2-amine is CC=CCC=CC(C)N.
What is the InChIKey of octa-3,6-dien-2-amine?
The InChIKey is RXJXNWXJNMGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-5-6-7-8(2)9/h3-4,6-8H,5,9H2,1-2H3.
What are the key properties of octa-3,6-dien-2-amine?
octa-3,6-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-3,6-dien-2-amine is sourced from PubChem (CID 91583412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).