2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine

C13H29NO — CID 139652125

IUPAC2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)C(CNC)(COC)C(C)CC
InChIInChI=1S/C13H29NO/c1-7-11(3)13(9-14-5,10-15-6)12(4)8-2/h11-12,14H,7-10H2,1-6H3
InChIKeyQUJSZBONRPFVFI-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds8

About 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine

2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine (PubChem CID 139652125) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine
PubChem CID139652125
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)C(CNC)(COC)C(C)CC
InChIInChI=1S/C13H29NO/c1-7-11(3)13(9-14-5,10-15-6)12(4)8-2/h11-12,14H,7-10H2,1-6H3
InChIKeyQUJSZBONRPFVFI-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{[1-(Methoxymethyl)cyclobutyl]methyl}(methyl)amine
CID 97619087
3-Cyclobutyl-3-(methoxymethyl)azetidine
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(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine
CID 89213368
3-(methoxymethyl)-N-methyl-2-propylpentan-1-amine
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CID 90959380
1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine
CID 91022206
2-(Ethoxymethyl)-4-methyl-2-propylpentan-1-amine
CID 91542550
1-[1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984486
1-[1-(ethoxymethyl)cyclopentyl]-N-methylmethanamine
CID 103984501
1-(1-(Methoxymethyl)cyclopentyl)-N-methylmethanamine
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N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984514

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine (CID 139652125) is 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine is CCC(C)C(CNC)(COC)C(C)CC.
What is the InChIKey of 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine?
The InChIKey is QUJSZBONRPFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-11(3)13(9-14-5,10-15-6)12(4)8-2/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine?
2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-(methoxymethyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 139652125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).