N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine

C16H34N2 — CID 123510738

IUPACN'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine
SMILESCCC(=CCCN(C)CCC(C)CC(C)C)CN
InChIInChI=1S/C16H34N2/c1-6-16(13-17)8-7-10-18(5)11-9-15(4)12-14(2)3/h8,14-15H,6-7,9-13,17H2,1-5H3
InChIKeyRDUUSXDTVHVFGP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.68
Rot. Bonds10

About N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine

N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine (PubChem CID 123510738) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine
PubChem CID123510738
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine
SMILESCCC(=CCCN(C)CCC(C)CC(C)C)CN
InChIInChI=1S/C16H34N2/c1-6-16(13-17)8-7-10-18(5)11-9-15(4)12-14(2)3/h8,14-15H,6-7,9-13,17H2,1-5H3
InChIKeyRDUUSXDTVHVFGP-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine?
The IUPAC name of N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine (CID 123510738) is N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine.
What is the SMILES notation for N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine?
The canonical SMILES for N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine is CCC(=CCCN(C)CCC(C)CC(C)C)CN.
What is the InChIKey of N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine?
The InChIKey is RDUUSXDTVHVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(13-17)8-7-10-18(5)11-9-15(4)12-14(2)3/h8,14-15H,6-7,9-13,17H2,1-5H3.
What are the key properties of N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine?
N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylhexyl)-2-ethyl-N'-methylpent-2-ene-1,5-diamine is sourced from PubChem (CID 123510738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).