1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine

C13H30N2O — CID 107505371

IUPAC1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CC)CC(C)C
InChIInChI=1S/C13H30N2O/c1-6-8-14-13(11-16-5)10-15(7-2)9-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyINIMHLXLWIQHGZ-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds10

About 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine

1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine (PubChem CID 107505371) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
PubChem CID107505371
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CC)CC(C)C
InChIInChI=1S/C13H30N2O/c1-6-8-14-13(11-16-5)10-15(7-2)9-12(3)4/h12-14H,6-11H2,1-5H3
InChIKeyINIMHLXLWIQHGZ-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505592
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
CID 62040984
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
3-(diethylamino)-2-(propylamino)propan-1-ol
CID 64798637
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine (CID 107505371) is 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine is CCCNC(COC)CN(CC)CC(C)C.
What is the InChIKey of 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
The InChIKey is INIMHLXLWIQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-8-14-13(11-16-5)10-15(7-2)9-12(3)4/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).