2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine

C24H50N2 — CID 173230016

IUPAC2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCNC(N)=C(C)CCC
InChIInChI=1S/C24H50N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(3)21-5-2/h26H,4-22,25H2,1-3H3
InChIKeyOUCSOOWQOVQUBZ-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.83
Rot. Bonds20

About 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine

2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine (PubChem CID 173230016) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
PubChem CID173230016
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCNC(N)=C(C)CCC
InChIInChI=1S/C24H50N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(3)21-5-2/h26H,4-22,25H2,1-3H3
InChIKeyOUCSOOWQOVQUBZ-UHFFFAOYSA-N
XLogP7.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
The IUPAC name of 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine (CID 173230016) is 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
The canonical SMILES for 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine is CCCCCCCCCCCCCCCCCCNC(N)=C(C)CCC.
What is the InChIKey of 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
The InChIKey is OUCSOOWQOVQUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(3)21-5-2/h26H,4-22,25H2,1-3H3.
What are the key properties of 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine has a molecular weight of 366.68 g/mol, XLogP of 7.83, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine is sourced from PubChem (CID 173230016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).