N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine

C14H26N2O — CID 142409695

IUPACN'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C/C=C\C(=C)OCCCN(C)CCN(C)C
InChIInChI=1S/C14H26N2O/c1-6-7-9-14(2)17-13-8-10-16(5)12-11-15(3)4/h6-7,9H,1-2,8,10-13H2,3-5H3/b9-7-
InChIKeyFSPMGMKRYHVFIK-CLFYSBASSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds10

About N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 142409695) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID142409695
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C/C=C\C(=C)OCCCN(C)CCN(C)C
InChIInChI=1S/C14H26N2O/c1-6-7-9-14(2)17-13-8-10-16(5)12-11-15(3)4/h6-7,9H,1-2,8,10-13H2,3-5H3/b9-7-
InChIKeyFSPMGMKRYHVFIK-CLFYSBASSA-N
XLogP2.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine (CID 142409695) is N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine is C=C/C=C\C(=C)OCCCN(C)CCN(C)C.
What is the InChIKey of N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is FSPMGMKRYHVFIK-CLFYSBASSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-7-9-14(2)17-13-8-10-16(5)12-11-15(3)4/h6-7,9H,1-2,8,10-13H2,3-5H3/b9-7-.
What are the key properties of N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.14, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 142409695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).