1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine

C22H44N2 — CID 134482330

IUPAC1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
SMILESC=CC(CCCCCC(C)C)CC(C)N(C)C(=C)NC(C)CCC
InChIInChI=1S/C22H44N2/c1-9-14-19(5)23-21(7)24(8)20(6)17-22(10-2)16-13-11-12-15-18(3)4/h10,18-20,22-23H,2,7,9,11-17H2,1,3-6,8H3
InChIKeyUJTGEXJQLCIPNQ-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.35
Rot. Bonds15

About 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine

1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine (PubChem CID 134482330) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
PubChem CID134482330
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
SMILESC=CC(CCCCCC(C)C)CC(C)N(C)C(=C)NC(C)CCC
InChIInChI=1S/C22H44N2/c1-9-14-19(5)23-21(7)24(8)20(6)17-22(10-2)16-13-11-12-15-18(3)4/h10,18-20,22-23H,2,7,9,11-17H2,1,3-6,8H3
InChIKeyUJTGEXJQLCIPNQ-UHFFFAOYSA-N
XLogP6.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine (CID 134482330) is 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine is C=CC(CCCCCC(C)C)CC(C)N(C)C(=C)NC(C)CCC.
What is the InChIKey of 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine?
The InChIKey is UJTGEXJQLCIPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-9-14-19(5)23-21(7)24(8)20(6)17-22(10-2)16-13-11-12-15-18(3)4/h10,18-20,22-23H,2,7,9,11-17H2,1,3-6,8H3.
What are the key properties of 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine?
1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine has a molecular weight of 336.61 g/mol, XLogP of 6.35, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine is sourced from PubChem (CID 134482330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).