(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine

C18H33N — CID 87105385

IUPAC(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine
SMILESCCC/C=C/CN(C/C=C/CCC)C/C=C/CCC
InChIInChI=1S/C18H33N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h10-15H,4-9,16-18H2,1-3H3/b13-10+,14-11+,15-12+
InChIKeyUNBJONSYZWSUDC-DZURWXOBSA-N
MW263.47 g/mol
LogP5.36
Rot. Bonds12

About (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine

(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine (PubChem CID 87105385) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine
PubChem CID87105385
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine
SMILESCCC/C=C/CN(C/C=C/CCC)C/C=C/CCC
InChIInChI=1S/C18H33N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h10-15H,4-9,16-18H2,1-3H3/b13-10+,14-11+,15-12+
InChIKeyUNBJONSYZWSUDC-DZURWXOBSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
N,N-diethylundec-2-en-1-amine
CID 71429038
N,N-diethyloct-2-en-1-amine;hydrate
CID 173438952
N,N-diethylpentadec-2-en-1-amine;hydrochloride
CID 175142183
ethane;(E)-hex-2-ene
CID 142405633
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
3-[bis(hex-2-enyl)amino]prop-2-enoic acid
CID 87504568
ethane;henicos-4-ene;propane
CID 144512101

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine?
The IUPAC name of (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine (CID 87105385) is (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine.
What is the SMILES notation for (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine?
The canonical SMILES for (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine is CCC/C=C/CN(C/C=C/CCC)C/C=C/CCC.
What is the InChIKey of (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine?
The InChIKey is UNBJONSYZWSUDC-DZURWXOBSA-N. The full InChI is InChI=1S/C18H33N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h10-15H,4-9,16-18H2,1-3H3/b13-10+,14-11+,15-12+.
What are the key properties of (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine?
(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine is sourced from PubChem (CID 87105385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).