2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine

C15H35N3O — CID 103227433

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CNCC(C)C)COC
InChIInChI=1S/C15H35N3O/c1-8-18(14(4)11-17(5)6)15(12-19-7)10-16-9-13(2)3/h13-16H,8-12H2,1-7H3
InChIKeyJFCSDACRLXPQAF-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.52
Rot. Bonds11

About 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 103227433) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID103227433
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN(C(C)CN(C)C)C(CNCC(C)C)COC
InChIInChI=1S/C15H35N3O/c1-8-18(14(4)11-17(5)6)15(12-19-7)10-16-9-13(2)3/h13-16H,8-12H2,1-7H3
InChIKeyJFCSDACRLXPQAF-UHFFFAOYSA-N
XLogP1.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-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

2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1-N-propylpentane-1,2-diamine
CID 83054922
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226895
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 107505986
3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340293
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225832
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
2-N-tert-butyl-3-methoxy-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103227121
N-[2-[2-(diethylamino)ethoxy]-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228309

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine (CID 103227433) is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine is CCN(C(C)CN(C)C)C(CNCC(C)C)COC.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is JFCSDACRLXPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-8-18(14(4)11-17(5)6)15(12-19-7)10-16-9-13(2)3/h13-16H,8-12H2,1-7H3.
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 273.46 g/mol, XLogP of 1.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103227433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).