8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine

C18H39N5 — CID 123701561

IUPAC8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine
SMILESC=C(CCNC)CC(CN)(CCC(=CCCN)CCN)NCC
InChIInChI=1S/C18H39N5/c1-4-23-18(15-21,14-16(2)9-13-22-3)10-7-17(8-12-20)6-5-11-19/h6,22-23H,2,4-5,7-15,19-21H2,1,3H3
InChIKeySYNAPGPXVPXYQV-UHFFFAOYSA-N
MW325.55 g/mol
LogP1.25
Rot. Bonds15

About 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine

8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine (PubChem CID 123701561) has the molecular formula C18H39N5 and a molecular weight of 325.55 g/mol. Its IUPAC name is 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine.

Molecular Properties

Compound Name8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine
PubChem CID123701561
Molecular FormulaC18H39N5
Molecular Weight325.55 g/mol
Exact Mass325.32
IUPAC Name8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine
SMILESC=C(CCNC)CC(CN)(CCC(=CCCN)CCN)NCC
InChIInChI=1S/C18H39N5/c1-4-23-18(15-21,14-16(2)9-13-22-3)10-7-17(8-12-20)6-5-11-19/h6,22-23H,2,4-5,7-15,19-21H2,1,3H3
InChIKeySYNAPGPXVPXYQV-UHFFFAOYSA-N
XLogP1.25
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-[(2S,6S)-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
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CID 19893741
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CID 19893793
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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine?
The IUPAC name of 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine (CID 123701561) is 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine.
What is the SMILES notation for 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine?
The canonical SMILES for 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine is C=C(CCNC)CC(CN)(CCC(=CCCN)CCN)NCC.
What is the InChIKey of 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine?
The InChIKey is SYNAPGPXVPXYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N5/c1-4-23-18(15-21,14-16(2)9-13-22-3)10-7-17(8-12-20)6-5-11-19/h6,22-23H,2,4-5,7-15,19-21H2,1,3H3.
What are the key properties of 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine?
8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine has a molecular weight of 325.55 g/mol, XLogP of 1.25, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-5-(aminomethyl)-5-N-ethyl-1-N-methyl-3-methylideneundec-8-ene-1,5,11-triamine is sourced from PubChem (CID 123701561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).