8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine

C17H35N3 — CID 123743235

IUPAC8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine
SMILESC=C(CCN)C(CCN)CCCC=CCCNCCC
InChIInChI=1S/C17H35N3/c1-3-14-20-15-8-6-4-5-7-9-17(11-13-19)16(2)10-12-18/h4,6,17,20H,2-3,5,7-15,18-19H2,1H3
InChIKeyPVLLTBZQKZIGHS-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.97
Rot. Bonds14

About 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine

8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine (PubChem CID 123743235) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine.

Molecular Properties

Compound Name8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine
PubChem CID123743235
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine
SMILESC=C(CCN)C(CCN)CCCC=CCCNCCC
InChIInChI=1S/C17H35N3/c1-3-14-20-15-8-6-4-5-7-9-17(11-13-19)16(2)10-12-18/h4,6,17,20H,2-3,5,7-15,18-19H2,1H3
InChIKeyPVLLTBZQKZIGHS-UHFFFAOYSA-N
XLogP2.97
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine?
The IUPAC name of 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine (CID 123743235) is 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine.
What is the SMILES notation for 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine?
The canonical SMILES for 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine is C=C(CCN)C(CCN)CCCC=CCCNCCC.
What is the InChIKey of 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine?
The InChIKey is PVLLTBZQKZIGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-14-20-15-8-6-4-5-7-9-17(11-13-19)16(2)10-12-18/h4,6,17,20H,2-3,5,7-15,18-19H2,1H3.
What are the key properties of 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine?
8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.97, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-9-methylidene-N-propylundec-3-ene-1,11-diamine is sourced from PubChem (CID 123743235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).