1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine

C10H24N2O — CID 62558176

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

About 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine

1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62558176) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62558176
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(C)C
InChIInChI=1S/C10H24N2O/c1-5-13-8-6-7-11-9-10(2)12(3)4/h10-11H,5-9H2,1-4H3
InChIKeyKHUREWSPKUSJEL-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

1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 62567824
1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
CID 62567966
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
1-N-(3-ethoxypropyl)-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568076
2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
CID 102997787
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 62558176) is 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine is CCOCCCNCC(C)N(C)C.
What is the InChIKey of 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is KHUREWSPKUSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-13-8-6-7-11-9-10(2)12(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-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-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62558176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).