1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine

C12H28N2O — CID 62624086

IUPAC1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
SMILESCOCC(C)N(C)CCC(N)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(9-15-6)14(5)8-7-11(13)12(2,3)4/h10-11H,7-9,13H2,1-6H3
InChIKeyQWNCYJGFHPWXOZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.72
Rot. Bonds6

About 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine

1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine (PubChem CID 62624086) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
PubChem CID62624086
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
SMILESCOCC(C)N(C)CCC(N)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(9-15-6)14(5)8-7-11(13)12(2,3)4/h10-11H,7-9,13H2,1-6H3
InChIKeyQWNCYJGFHPWXOZ-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine (CID 62624086) is 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine is COCC(C)N(C)CCC(N)C(C)(C)C.
What is the InChIKey of 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine?
The InChIKey is QWNCYJGFHPWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(9-15-6)14(5)8-7-11(13)12(2,3)4/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine?
1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine is sourced from PubChem (CID 62624086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).