1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine

C10H24N2O2 — CID 81056203

IUPAC1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
SMILESCCOCCN(C)CC(N)CCOC
InChIInChI=1S/C10H24N2O2/c1-4-14-8-6-12(2)9-10(11)5-7-13-3/h10H,4-9,11H2,1-3H3
InChIKeyWZJVMJXZTXBYSD-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.32
Rot. Bonds9

About 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine

1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine (PubChem CID 81056203) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
PubChem CID81056203
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
SMILESCCOCCN(C)CC(N)CCOC
InChIInChI=1S/C10H24N2O2/c1-4-14-8-6-12(2)9-10(11)5-7-13-3/h10H,4-9,11H2,1-3H3
InChIKeyWZJVMJXZTXBYSD-UHFFFAOYSA-N
XLogP0.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-5-methoxypentan-3-amine
CID 114997131
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81102660
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
N-(2-ethoxyethyl)-N,2-dimethylpentane-1,5-diamine
CID 104682346
4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 63859672

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine (CID 81056203) is 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine is CCOCCN(C)CC(N)CCOC.
What is the InChIKey of 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine?
The InChIKey is WZJVMJXZTXBYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-4-14-8-6-12(2)9-10(11)5-7-13-3/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine?
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine has a molecular weight of 204.31 g/mol, XLogP of 0.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 81056203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).