oct-1-en-4-amine

C8H17N — CID 10964513

IUPACoct-1-en-4-amine
SMILESC=CCC(N)CCCC
InChIInChI=1S/C8H17N/c1-3-5-7-8(9)6-4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeySHDLIVAQGOSUIM-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds5

About oct-1-en-4-amine

oct-1-en-4-amine (PubChem CID 10964513) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is oct-1-en-4-amine.

Molecular Properties

Compound Nameoct-1-en-4-amine
PubChem CID10964513
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameoct-1-en-4-amine
SMILESC=CCC(N)CCCC
InChIInChI=1S/C8H17N/c1-3-5-7-8(9)6-4-2/h4,8H,2-3,5-7,9H2,1H3
InChIKeySHDLIVAQGOSUIM-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.08
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 oct-1-en-4-amine?
The IUPAC name of oct-1-en-4-amine (CID 10964513) is oct-1-en-4-amine.
What is the SMILES notation for oct-1-en-4-amine?
The canonical SMILES for oct-1-en-4-amine is C=CCC(N)CCCC.
What is the InChIKey of oct-1-en-4-amine?
The InChIKey is SHDLIVAQGOSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-5-7-8(9)6-4-2/h4,8H,2-3,5-7,9H2,1H3.
What are the key properties of oct-1-en-4-amine?
oct-1-en-4-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-4-amine is sourced from PubChem (CID 10964513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).