N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine

C14H26N2O — CID 142217439

IUPACN',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
SMILESC=C/C=C\C(C)=C/OCCCNCCN(C)C
InChIInChI=1S/C14H26N2O/c1-5-6-8-14(2)13-17-12-7-9-15-10-11-16(3)4/h5-6,8,13,15H,1,7,9-12H2,2-4H3/b8-6-,14-13-
InChIKeyWOZVTODIXRGMDG-SCBAPXNQSA-N
MW238.38 g/mol
LogP2.19
Rot. Bonds10

About N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine (PubChem CID 142217439) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
PubChem CID142217439
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC NameN',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
SMILESC=C/C=C\C(C)=C/OCCCNCCN(C)C
InChIInChI=1S/C14H26N2O/c1-5-6-8-14(2)13-17-12-7-9-15-10-11-16(3)4/h5-6,8,13,15H,1,7,9-12H2,2-4H3/b8-6-,14-13-
InChIKeyWOZVTODIXRGMDG-SCBAPXNQSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine with MolForge

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Related Compounds

4-[3-(Methylamino)propoxy]-2-methylidenepent-3-en-1-amine
CID 123647646
1-[(E,2E)-2-ethylidene-4-methoxypent-3-enyl]piperazine
CID 129231954
(Z)-N-(3-methoxypropyl)-2-methylidenehex-3-en-1-amine
CID 132175166
ethane;(Z,2E)-N-(3-ethoxypropyl)-2-ethylidenepent-3-en-1-amine
CID 141975366
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane
CID 142989790
(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
CID 166850487
(Z,2E)-N-(3-ethoxypropyl)-2-ethylidenepent-3-en-1-amine
CID 141975367
(2E)-2-[(Z)-2-[3-(dimethylamino)propoxy]ethenyl]penta-2,4-dien-1-amine
CID 142169659
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
CID 142989791

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine (CID 142217439) is N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine is C=C/C=C\C(C)=C/OCCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
The InChIKey is WOZVTODIXRGMDG-SCBAPXNQSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-6-8-14(2)13-17-12-7-9-15-10-11-16(3)4/h5-6,8,13,15H,1,7,9-12H2,2-4H3/b8-6-,14-13-.
What are the key properties of N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-[(1Z,3Z)-2-methylhexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine is sourced from PubChem (CID 142217439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).