1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

C10H24N2O — CID 63008673

IUPAC1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCCNCC(C)N(C)CCCOC
InChIInChI=1S/C10H24N2O/c1-5-11-9-10(2)12(3)7-6-8-13-4/h10-11H,5-9H2,1-4H3
InChIKeyPAEVJPGVSOQXPZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.95
Rot. Bonds8

About 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (PubChem CID 63008673) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
PubChem CID63008673
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCCNCC(C)N(C)CCCOC
InChIInChI=1S/C10H24N2O/c1-5-11-9-10(2)12(3)7-6-8-13-4/h10-11H,5-9H2,1-4H3
InChIKeyPAEVJPGVSOQXPZ-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63008518
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
1-N-cyclohexyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63007613
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
CID 81019237
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (CID 63008673) is 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is CCNCC(C)N(C)CCCOC.
What is the InChIKey of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is PAEVJPGVSOQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-11-9-10(2)12(3)7-6-8-13-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63008673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).