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

C12H28N2O — CID 61044517

IUPAC1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCC(C)N(C)C
InChIInChI=1S/C12H28N2O/c1-10(8-12(3,4)15-7)13-9-11(2)14(5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyKWLBRTXDTLWYSY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds7

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

1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 61044517) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID61044517
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCC(C)N(C)C
InChIInChI=1S/C12H28N2O/c1-10(8-12(3,4)15-7)13-9-11(2)14(5)6/h10-11,13H,8-9H2,1-7H3
InChIKeyKWLBRTXDTLWYSY-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

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

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Related Compounds

4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 106675747
2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675782
(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
4-Methyl-4-(methylaminomethoxy)pentan-2-amine
CID 130251979
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
1-(4-Methoxy-2,4-dimethylpentan-2-yl)piperazine
CID 146180745
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N,4-dimethyl-4-propoxypentan-2-amine
CID 156081274
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 156227900
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 156227913
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
N'-(2-ethyl-3-methoxy-3-methylbutyl)-N,N'-dimethylethane-1,2-diamine
CID 170266043

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 61044517) is 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine is COC(C)(C)CC(C)NCC(C)N(C)C.
What is the InChIKey of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is KWLBRTXDTLWYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(8-12(3,4)15-7)13-9-11(2)14(5)6/h10-11,13H,8-9H2,1-7H3.
What are the key properties of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-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 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 61044517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).