1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine

C15H35N3O — CID 121460797

IUPAC1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine
SMILESCC(COCC(C)NCC(C)(C)N)NCC(C)(C)C
InChIInChI=1S/C15H35N3O/c1-12(17-10-14(3,4)5)8-19-9-13(2)18-11-15(6,7)16/h12-13,17-18H,8-11,16H2,1-7H3
InChIKeyAHSUEKDSMSZQJO-UHFFFAOYSA-N
MW273.46 g/mol
LogP1.74
Rot. Bonds9

About 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine

1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine (PubChem CID 121460797) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine
PubChem CID121460797
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Name1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine
SMILESCC(COCC(C)NCC(C)(C)N)NCC(C)(C)C
InChIInChI=1S/C15H35N3O/c1-12(17-10-14(3,4)5)8-19-9-13(2)18-11-15(6,7)16/h12-13,17-18H,8-11,16H2,1-7H3
InChIKeyAHSUEKDSMSZQJO-UHFFFAOYSA-N
XLogP1.74
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine (CID 121460797) is 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine is CC(COCC(C)NCC(C)(C)N)NCC(C)(C)C.
What is the InChIKey of 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine?
The InChIKey is AHSUEKDSMSZQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O/c1-12(17-10-14(3,4)5)8-19-9-13(2)18-11-15(6,7)16/h12-13,17-18H,8-11,16H2,1-7H3.
What are the key properties of 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine?
1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine has a molecular weight of 273.46 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[2-(2,2-dimethylpropylamino)propoxy]propan-2-yl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 121460797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).