N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine

C16H28N2O — CID 143509676

IUPACN-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)CCOC1=CCC=C(C)C=C1
InChIInChI=1S/C16H28N2O/c1-5-17(3)11-12-18(4)13-14-19-16-8-6-7-15(2)9-10-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyXZKAODBSHCABKG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds8

About N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine

N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine (PubChem CID 143509676) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine
PubChem CID143509676
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)CCOC1=CCC=C(C)C=C1
InChIInChI=1S/C16H28N2O/c1-5-17(3)11-12-18(4)13-14-19-16-8-6-7-15(2)9-10-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyXZKAODBSHCABKG-UHFFFAOYSA-N
XLogP2.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine with MolForge

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Related Compounds

1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
2-[2,3-Bis[2-(triethylazaniumyl)ethoxy]cyclohepta-1,3,6-trien-1-yl]oxyethyl-triethylazanium
CID 123423065
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
N,N-dimethyl-2-[(5R)-5-methylcyclohepta-1,3,6-trien-1-yl]oxyethanamine
CID 134534485
4-methyl-7-prop-1-en-2-yl-3,5-dihydro-2H-1,4-oxazepine
CID 138571735
N,N,N'-trimethyl-N'-[2-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]ethyl]ethane-1,2-diamine
CID 139502115
5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272
5,10-Dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 142260943
2-(2,5-dimethylcyclohepta-1,3,6-trien-1-yl)oxy-N,N-dimethylethanamine;methane
CID 142981286
4-[2-[(4Z,6Z,8Z)-8-methyldeca-4,6,8-trien-5-yl]oxyethyl]morpholine
CID 143093213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine (CID 143509676) is N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine is CCN(C)CCN(C)CCOC1=CCC=C(C)C=C1.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine?
The InChIKey is XZKAODBSHCABKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17(3)11-12-18(4)13-14-19-16-8-6-7-15(2)9-10-16/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine?
N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-[2-(5-methylcyclohepta-1,4,6-trien-1-yl)oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 143509676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).