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

C24H53N3 — CID 173230015

IUPACazane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCNC(N)=C(C)CCC.N
InChIInChI=1S/C24H50N2.H3N/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;1H3
InChIKeySSGKCRKGTNALPZ-UHFFFAOYSA-N
MW383.71 g/mol
LogP7.99
Rot. Bonds20

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

azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine (PubChem CID 173230015) has the molecular formula C24H53N3 and a molecular weight of 383.71 g/mol. Its IUPAC name is azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine.

Molecular Properties

Compound Nameazane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
PubChem CID173230015
Molecular FormulaC24H53N3
Molecular Weight383.71 g/mol
Exact Mass383.42
IUPAC Nameazane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCNC(N)=C(C)CCC.N
InChIInChI=1S/C24H50N2.H3N/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;1H3
InChIKeySSGKCRKGTNALPZ-UHFFFAOYSA-N
XLogP7.99
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 57.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
The IUPAC name of azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine (CID 173230015) is azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine.
What is the SMILES notation for azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
The canonical SMILES for azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine is CCCCCCCCCCCCCCCCCCNC(N)=C(C)CCC.N.
What is the InChIKey of azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
The InChIKey is SSGKCRKGTNALPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2.H3N/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;1H3.
What are the key properties of azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine?
azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine has a molecular weight of 383.71 g/mol, XLogP of 7.99, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-1-N'-octadecylpent-1-ene-1,1-diamine is sourced from PubChem (CID 173230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).