N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine

C12H27NO — CID 115719163

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
SMILESCOCC(NC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)11(8-14-7)13-10(3)12(4,5)6/h9-11,13H,8H2,1-7H3
InChIKeyLFRTUXMPEYVSAV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine

N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine (PubChem CID 115719163) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
PubChem CID115719163
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine
SMILESCOCC(NC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)11(8-14-7)13-10(3)12(4,5)6/h9-11,13H,8H2,1-7H3
InChIKeyLFRTUXMPEYVSAV-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
CID 115721836
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
CID 65048803
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
N-ethoxy-1-methoxy-3-methylbutan-2-amine
CID 82709141
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
CID 79624902
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
CID 77055988
1-methoxy-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81406317
1-methoxy-3-methyl-N-(1-pyridin-4-ylethyl)butan-2-amine
CID 65047820

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine (CID 115719163) is N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine is COCC(NC(C)C(C)(C)C)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is LFRTUXMPEYVSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)11(8-14-7)13-10(3)12(4,5)6/h9-11,13H,8H2,1-7H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115719163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).