2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C12H28N2O — CID 82945735

IUPAC2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOC(C)(C)CC(C)NC(C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-10(8-12(3,4)15-7)13-11(2)9-14(5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyCJTIYPUNKUBDKP-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds7

About 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945735) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945735
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOC(C)(C)CC(C)NC(C)CN(C)C
InChIInChI=1S/C12H28N2O/c1-10(8-12(3,4)15-7)13-11(2)9-14(5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyCJTIYPUNKUBDKP-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
CID 115724125
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945735) is 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is COC(C)(C)CC(C)NC(C)CN(C)C.
What is the InChIKey of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is CJTIYPUNKUBDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(8-12(3,4)15-7)13-11(2)9-14(5)6/h10-11,13H,8-9H2,1-7H3.
What are the key properties of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).