1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine

C16H36N2O — CID 62568135

IUPAC1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
SMILESCCOCCCNCC(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2O/c1-7-19-10-8-9-17-11-16(6)18(12-14(2)3)13-15(4)5/h14-17H,7-13H2,1-6H3
InChIKeyQTASPRLHGSZMSF-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.01
Rot. Bonds12

About 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine

1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine (PubChem CID 62568135) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
PubChem CID62568135
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
SMILESCCOCCCNCC(C)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2O/c1-7-19-10-8-9-17-11-16(6)18(12-14(2)3)13-15(4)5/h14-17H,7-13H2,1-6H3
InChIKeyQTASPRLHGSZMSF-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.01
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,2-N-dimethylpropane-1,2-diamine
CID 62558176
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
2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
CID 102997787
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
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-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
CID 62567966
1-N-(3-ethoxypropyl)-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568076
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine (CID 62568135) is 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine is CCOCCCNCC(C)N(CC(C)C)CC(C)C.
What is the InChIKey of 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
The InChIKey is QTASPRLHGSZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-19-10-8-9-17-11-16(6)18(12-14(2)3)13-15(4)5/h14-17H,7-13H2,1-6H3.
What are the key properties of 1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine?
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.01, 12 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-bis(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 62568135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).