N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine

C10H24N2O — CID 104647419

IUPACN'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCCCCOC
InChIInChI=1S/C10H24N2O/c1-4-12(2)9-8-11-7-5-6-10-13-3/h11H,4-10H2,1-3H3
InChIKeyCJYNRYJMQLMJMQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.95
Rot. Bonds9

About N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine

N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine (PubChem CID 104647419) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
PubChem CID104647419
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCCCCOC
InChIInChI=1S/C10H24N2O/c1-4-12(2)9-8-11-7-5-6-10-13-3/h11H,4-10H2,1-3H3
InChIKeyCJYNRYJMQLMJMQ-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
ethane;N-ethyl-N'-(4-methoxybutyl)-N,N'-dimethylethane-1,2-diamine;methoxyethane
CID 177247615
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652348
N'-(2-ethoxyethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63692336

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine (CID 104647419) is N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine is CCN(C)CCNCCCCOC.
What is the InChIKey of N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine?
The InChIKey is CJYNRYJMQLMJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-12(2)9-8-11-7-5-6-10-13-3/h11H,4-10H2,1-3H3.
What are the key properties of N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine?
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104647419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).