(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine

C16H29N — CID 134859908

IUPAC(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine
SMILESC=CCN(CC=C)/C(CCC)=C(\CC)CCC
InChIInChI=1S/C16H29N/c1-6-11-15(10-5)16(12-7-2)17(13-8-3)14-9-4/h8-9H,3-4,6-7,10-14H2,1-2,5H3/b16-15+
InChIKeyWDPJBHYQEBYGED-FOCLMDBBSA-N
MW235.41 g/mol
LogP4.92
Rot. Bonds10

About (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine

(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine (PubChem CID 134859908) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine.

Molecular Properties

Compound Name(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine
PubChem CID134859908
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine
SMILESC=CCN(CC=C)/C(CCC)=C(\CC)CCC
InChIInChI=1S/C16H29N/c1-6-11-15(10-5)16(12-7-2)17(13-8-3)14-9-4/h8-9H,3-4,6-7,10-14H2,1-2,5H3/b16-15+
InChIKeyWDPJBHYQEBYGED-FOCLMDBBSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
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 (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine?
The IUPAC name of (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine (CID 134859908) is (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine.
What is the SMILES notation for (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine?
The canonical SMILES for (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine is C=CCN(CC=C)/C(CCC)=C(\CC)CCC.
What is the InChIKey of (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine?
The InChIKey is WDPJBHYQEBYGED-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H29N/c1-6-11-15(10-5)16(12-7-2)17(13-8-3)14-9-4/h8-9H,3-4,6-7,10-14H2,1-2,5H3/b16-15+.
What are the key properties of (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine?
(E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine has a molecular weight of 235.41 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-N,N-bis(prop-2-enyl)oct-4-en-4-amine is sourced from PubChem (CID 134859908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).