2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine

C16H29N3 — CID 18520347

IUPAC2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine
SMILESC=CC/C(CC)=N/CCNCC/N=C(\CC)CC=C
InChIInChI=1S/C16H29N3/c1-5-9-15(7-3)18-13-11-17-12-14-19-16(8-4)10-6-2/h5-6,17H,1-2,7-14H2,3-4H3/b18-15+,19-16+
InChIKeyQRNUYSUBLRMEDR-GTLAIDDRSA-N
MW263.43 g/mol
LogP3.43
Rot. Bonds12

About 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine

2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine (PubChem CID 18520347) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine.

Molecular Properties

Compound Name2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine
PubChem CID18520347
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine
SMILESC=CC/C(CC)=N/CCNCC/N=C(\CC)CC=C
InChIInChI=1S/C16H29N3/c1-5-9-15(7-3)18-13-11-17-12-14-19-16(8-4)10-6-2/h5-6,17H,1-2,7-14H2,3-4H3/b18-15+,19-16+
InChIKeyQRNUYSUBLRMEDR-GTLAIDDRSA-N
XLogP3.43
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allyl-(1-methyl-pent-4-enylidene)-amine Allyl-(1-methyl-pent-4-enyl)-amine
CID 22036684
N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
CID 134485867

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine?
The IUPAC name of 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine (CID 18520347) is 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine.
What is the SMILES notation for 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine?
The canonical SMILES for 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine is C=CC/C(CC)=N/CCNCC/N=C(\CC)CC=C.
What is the InChIKey of 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine?
The InChIKey is QRNUYSUBLRMEDR-GTLAIDDRSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-9-15(7-3)18-13-11-17-12-14-19-16(8-4)10-6-2/h5-6,17H,1-2,7-14H2,3-4H3/b18-15+,19-16+.
What are the key properties of 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine?
2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.43, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-en-3-ylideneamino)-N-[2-(hex-5-en-3-ylideneamino)ethyl]ethanamine is sourced from PubChem (CID 18520347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).