2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine

C15H35N3O — CID 102997787

IUPAC2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(CC)CCCN(C)C
InChIInChI=1S/C15H35N3O/c1-6-18(12-9-11-17(4)5)15(3)14-16-10-8-13-19-7-2/h15-16H,6-14H2,1-5H3
InChIKeyMTGAJFZUTWWCLP-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.66
Rot. Bonds13

About 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine (PubChem CID 102997787) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
PubChem CID102997787
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Name2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine
SMILESCCOCCCNCC(C)N(CC)CCCN(C)C
InChIInChI=1S/C15H35N3O/c1-6-18(12-9-11-17(4)5)15(3)14-16-10-8-13-19-7-2/h15-16H,6-14H2,1-5H3
InChIKeyMTGAJFZUTWWCLP-UHFFFAOYSA-N
XLogP1.66
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.66
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

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 102997823
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
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
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
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-(3-ethoxypropyl)-2-N-methyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 62567824
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine (CID 102997787) is 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine is CCOCCCNCC(C)N(CC)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine?
The InChIKey is MTGAJFZUTWWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-6-18(12-9-11-17(4)5)15(3)14-16-10-8-13-19-7-2/h15-16H,6-14H2,1-5H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine has a molecular weight of 273.46 g/mol, XLogP of 1.66, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-1-N-(3-ethoxypropyl)-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 102997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).