(E)-oct-2-en-2-amine

C8H17N — CID 87259480

IUPAC(E)-oct-2-en-2-amine
SMILESCCCCC/C=C(\C)N
InChIInChI=1S/C8H17N/c1-3-4-5-6-7-8(2)9/h7H,3-6,9H2,1-2H3/b8-7+
InChIKeyWDBLQASEPCWAAS-BQYQJAHWSA-N
MW127.23 g/mol
LogP2.43
Rot. Bonds4

About (E)-oct-2-en-2-amine

(E)-oct-2-en-2-amine (PubChem CID 87259480) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-oct-2-en-2-amine.

Molecular Properties

Compound Name(E)-oct-2-en-2-amine
PubChem CID87259480
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-oct-2-en-2-amine
SMILESCCCCC/C=C(\C)N
InChIInChI=1S/C8H17N/c1-3-4-5-6-7-8(2)9/h7H,3-6,9H2,1-2H3/b8-7+
InChIKeyWDBLQASEPCWAAS-BQYQJAHWSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tricos-1-ene-1,1-diamine
CID 141373485
undec-3-en-3-amine
CID 151904505
1-chlorooctadec-1-en-1-amine
CID 173460084
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
(E)-3-methylnon-3-ene
CID 5364647
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-octadec-9-en-9-amine
CID 146566069
3-methyloctadec-3-ene
CID 91073568
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714

Frequently Asked Questions

What is the IUPAC name of (E)-oct-2-en-2-amine?
The IUPAC name of (E)-oct-2-en-2-amine (CID 87259480) is (E)-oct-2-en-2-amine.
What is the SMILES notation for (E)-oct-2-en-2-amine?
The canonical SMILES for (E)-oct-2-en-2-amine is CCCCC/C=C(\C)N.
What is the InChIKey of (E)-oct-2-en-2-amine?
The InChIKey is WDBLQASEPCWAAS-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17N/c1-3-4-5-6-7-8(2)9/h7H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-oct-2-en-2-amine?
(E)-oct-2-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-2-en-2-amine is sourced from PubChem (CID 87259480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).