8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine

C20H33N3 — CID 143342222

IUPAC8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine
SMILESC=C/N=C(/CC(=CC(C)CC(=C)NCC(=C)CC)NC)C(=C)C
InChIInChI=1S/C20H33N3/c1-9-16(5)14-23-18(7)11-17(6)12-19(21-8)13-20(15(3)4)22-10-2/h10,12,17,21,23H,2-3,5,7,9,11,13-14H2,1,4,6,8H3/b19-12?,22-20-
InChIKeyYHUWHODTUVCTAS-HRBPFDDNSA-N
MW315.51 g/mol
LogP4.74
Rot. Bonds12

About 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine

8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine (PubChem CID 143342222) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine.

Molecular Properties

Compound Name8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine
PubChem CID143342222
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine
SMILESC=C/N=C(/CC(=CC(C)CC(=C)NCC(=C)CC)NC)C(=C)C
InChIInChI=1S/C20H33N3/c1-9-16(5)14-23-18(7)11-17(6)12-19(21-8)13-20(15(3)4)22-10-2/h10,12,17,21,23H,2-3,5,7,9,11,13-14H2,1,4,6,8H3/b19-12?,22-20-
InChIKeyYHUWHODTUVCTAS-HRBPFDDNSA-N
XLogP4.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine?
The IUPAC name of 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine (CID 143342222) is 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine.
What is the SMILES notation for 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine?
The canonical SMILES for 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine is C=C/N=C(/CC(=CC(C)CC(=C)NCC(=C)CC)NC)C(=C)C.
What is the InChIKey of 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine?
The InChIKey is YHUWHODTUVCTAS-HRBPFDDNSA-N. The full InChI is InChI=1S/C20H33N3/c1-9-16(5)14-23-18(7)11-17(6)12-19(21-8)13-20(15(3)4)22-10-2/h10,12,17,21,23H,2-3,5,7,9,11,13-14H2,1,4,6,8H3/b19-12?,22-20-.
What are the key properties of 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine?
8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine has a molecular weight of 315.51 g/mol, XLogP of 4.74, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine is sourced from PubChem (CID 143342222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).