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

C15H35N3O — CID 107505592

IUPAC1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H35N3O/c1-7-8-16-15(13-19-6)12-18(11-14(2)3)10-9-17(4)5/h14-16H,7-13H2,1-6H3
InChIKeyUBJMHYZAIQBYQC-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.52
Rot. Bonds12

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

1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine (PubChem CID 107505592) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
PubChem CID107505592
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Name1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
SMILESCCCNC(COC)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H35N3O/c1-7-8-16-15(13-19-6)12-18(11-14(2)3)10-9-17(4)5/h14-16H,7-13H2,1-6H3
InChIKeyUBJMHYZAIQBYQC-UHFFFAOYSA-N
XLogP1.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
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

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Related Compounds

1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
1-N,1-N-dibutyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505330
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
1-[2-(dimethylamino)ethylsulfanyl]-3-methoxy-N-propylpropan-2-amine
CID 107511523
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089675
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
CID 62040984
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
1-[2-(dimethylamino)ethyl-propylamino]-3-methoxypropan-2-ol
CID 63929215

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine (CID 107505592) is 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine is CCCNC(COC)CN(CCN(C)C)CC(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
The InChIKey is UBJMHYZAIQBYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-7-8-16-15(13-19-6)12-18(11-14(2)3)10-9-17(4)5/h14-16H,7-13H2,1-6H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine has a molecular weight of 273.46 g/mol, XLogP of 1.52, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 107505592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).