1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine

C8H20N2O — CID 61453428

IUPAC1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
SMILESCOCC(C)N(C)CC(C)N
InChIInChI=1S/C8H20N2O/c1-7(9)5-10(3)8(2)6-11-4/h7-8H,5-6,9H2,1-4H3
InChIKeyZHGBOZSYRDVPFK-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds5

About 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine

1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 61453428) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
PubChem CID61453428
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
SMILESCOCC(C)N(C)CC(C)N
InChIInChI=1S/C8H20N2O/c1-7(9)5-10(3)8(2)6-11-4/h7-8H,5-6,9H2,1-4H3
InChIKeyZHGBOZSYRDVPFK-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
CID 62624086
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61451426
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine (CID 61453428) is 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine is COCC(C)N(C)CC(C)N.
What is the InChIKey of 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is ZHGBOZSYRDVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(9)5-10(3)8(2)6-11-4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine?
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 5 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-methylpropane-1,2-diamine is sourced from PubChem (CID 61453428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).