N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine

C25H50N2O — CID 88891161

IUPACN',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCOCNCCCN(C)C
InChIInChI=1S/C25H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-25-26-22-21-23-27(2)3/h8-9,11-12,26H,4-7,10,13-25H2,1-3H3/b9-8-,12-11-
InChIKeyGTEARRKBSLBXCW-MURFETPASA-N
MW394.69 g/mol
LogP6.71
Rot. Bonds22

About N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine

N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine (PubChem CID 88891161) has the molecular formula C25H50N2O and a molecular weight of 394.69 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine
PubChem CID88891161
Molecular FormulaC25H50N2O
Molecular Weight394.69 g/mol
Exact Mass394.39
IUPAC NameN',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCOCNCCCN(C)C
InChIInChI=1S/C25H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-25-26-22-21-23-27(2)3/h8-9,11-12,26H,4-7,10,13-25H2,1-3H3/b9-8-,12-11-
InChIKeyGTEARRKBSLBXCW-MURFETPASA-N
XLogP6.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-tetradec-9-enoxy]propan-1-amine
CID 17927977
3-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]oxycarbonylamino]propyl-trimethylazanium
CID 53244550
[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] N-[3-(dimethylamino)propyl]carbamate
CID 58069595
N-[3-[(9Z,12Z)-octadeca-9,12-dienoxy]propyl]butan-1-amine
CID 58391201
bis[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]-dimethylazanium
CID 58611470
N'-ethyl-N-[[(Z)-heptadec-8-enoxy]methyl]-N'-[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]ethane-1,2-diamine
CID 58651711
N'-(2-aminoethyl)-N-[[(Z)-heptadec-8-enoxy]methyl]-N'-[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]propane-1,3-diamine
CID 59117579
N-[[(Z)-heptadec-8-enoxy]methyl]-N'-[2-[[(Z)-heptadec-8-enoxy]methylamino]ethyl]-N'-methylethane-1,2-diamine
CID 59117592
N'-ethyl-N-(heptadec-8-enoxymethyl)-N'-[2-(heptadec-8-enoxymethylamino)ethyl]ethane-1,2-diamine
CID 72382787
N'-(2-aminoethyl)-N-(heptadec-8-enoxymethyl)-N'-[2-(heptadec-8-enoxymethylamino)ethyl]propane-1,3-diamine
CID 72521645
N-(heptadec-8-enoxymethyl)-N'-[2-(heptadec-8-enoxymethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 72521651
heptatriaconta-6,9,28,31-tetraen-19-yl N-[3-(dimethylamino)propyl]carbamate
CID 76686178

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine (CID 88891161) is N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine is CCCCC/C=C\C/C=C\CCCCCCCCCOCNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine?
The InChIKey is GTEARRKBSLBXCW-MURFETPASA-N. The full InChI is InChI=1S/C25H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-25-26-22-21-23-27(2)3/h8-9,11-12,26H,4-7,10,13-25H2,1-3H3/b9-8-,12-11-.
What are the key properties of N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine has a molecular weight of 394.69 g/mol, XLogP of 6.71, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[(10Z,13Z)-nonadeca-10,13-dienoxy]methyl]propane-1,3-diamine is sourced from PubChem (CID 88891161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).