(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine

C15H34N4 — CID 138564627

IUPAC(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine
SMILESCCNCCCN/C=C/CCCNCCCNCC
InChIInChI=1S/C15H34N4/c1-3-16-12-8-14-18-10-6-5-7-11-19-15-9-13-17-4-2/h6,10,16-19H,3-5,7-9,11-15H2,1-2H3/b10-6+
InChIKeyGZGQZNDWXNITBD-UXBLZVDNSA-N
MW270.46 g/mol
LogP1.46
Rot. Bonds15

About (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine

(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine (PubChem CID 138564627) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine
PubChem CID138564627
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine
SMILESCCNCCCN/C=C/CCCNCCCNCC
InChIInChI=1S/C15H34N4/c1-3-16-12-8-14-18-10-6-5-7-11-19-15-9-13-17-4-2/h6,10,16-19H,3-5,7-9,11-15H2,1-2H3/b10-6+
InChIKeyGZGQZNDWXNITBD-UXBLZVDNSA-N
XLogP1.46
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
(Z)-N-butylhex-1-en-1-amine
CID 146262840
(E)-N'-ethyl-N-[(E)-2-methylbut-2-enyl]hept-1-ene-1,7-diamine
CID 143441268
N'-but-1-enyl-N-ethylethane-1,2-diamine
CID 146657084
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695762
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
(Z)-N-ethylundec-9-en-1-amine
CID 144898184

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine?
The IUPAC name of (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine (CID 138564627) is (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine.
What is the SMILES notation for (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine?
The canonical SMILES for (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine is CCNCCCN/C=C/CCCNCCCNCC.
What is the InChIKey of (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine?
The InChIKey is GZGQZNDWXNITBD-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H34N4/c1-3-16-12-8-14-18-10-6-5-7-11-19-15-9-13-17-4-2/h6,10,16-19H,3-5,7-9,11-15H2,1-2H3/b10-6+.
What are the key properties of (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine?
(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine has a molecular weight of 270.46 g/mol, XLogP of 1.46, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine is sourced from PubChem (CID 138564627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).