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

C14H26N2O2 — CID 142099639

IUPACN'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(/C=C\C(=C)N(C)CCN(C)C)OCCOC
InChIInChI=1S/C14H26N2O2/c1-13(16(5)10-9-15(3)4)7-8-14(2)18-12-11-17-6/h7-8H,1-2,9-12H2,3-6H3/b8-7-
InChIKeyLVAUSBHUPGKDCX-FPLPWBNLSA-N
MW254.37 g/mol
LogP1.73
Rot. Bonds10

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

N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 142099639) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID142099639
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC=C(/C=C\C(=C)N(C)CCN(C)C)OCCOC
InChIInChI=1S/C14H26N2O2/c1-13(16(5)10-9-15(3)4)7-8-14(2)18-12-11-17-6/h7-8H,1-2,9-12H2,3-6H3/b8-7-
InChIKeyLVAUSBHUPGKDCX-FPLPWBNLSA-N
XLogP1.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143046248
N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine
CID 143431663
N-[2-[[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N,N'-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 162580850
2,2,2-trifluoro-N-[2-[4-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]piperazin-1-yl]ethyl]-N-methylethanamine
CID 162582991
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 142099600
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128693
N-[2-[4-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
CID 143046244
ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane
CID 143046247
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143767738
N'-[(3E)-3-ethoxyhexa-1,3,5-trien-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 145309845

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 142099639) is N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is C=C(/C=C\C(=C)N(C)CCN(C)C)OCCOC.
What is the InChIKey of N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is LVAUSBHUPGKDCX-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(16(5)10-9-15(3)4)7-8-14(2)18-12-11-17-6/h7-8H,1-2,9-12H2,3-6H3/b8-7-.
What are the key properties of N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 254.37 g/mol, XLogP of 1.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 142099639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).