3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine

C11H25NO — CID 103033128

IUPAC3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine
SMILESCOC(C)(C)CCNC(C)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)10(3)12-8-7-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeyXTDSHWSYWNIZNB-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds6

About 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine

3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine (PubChem CID 103033128) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine
PubChem CID103033128
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine
SMILESCOC(C)(C)CCNC(C)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)10(3)12-8-7-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3
InChIKeyXTDSHWSYWNIZNB-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-[(1-methylethyl)amino]-2-butanol
CID 15889474
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103032969
N'-(3-methoxy-3-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
CID 103032993
N'-(3-methoxy-3-methylbutyl)-N',2-dimethylpropane-1,3-diamine
CID 103032998
3-N-(3-methoxy-3-methylbutyl)-3-N-methylbutane-1,3-diamine
CID 103033024
3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 103033087
3-methoxy-N-(3-methoxypropyl)-3-methylbutan-1-amine
CID 103033130
N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033132
N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine
CID 103033138
N-(1-cyclopropylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033144
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-(3-methoxy-3-methylbutyl)-5-methylhexan-1-amine
CID 103033507

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine (CID 103033128) is 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine is COC(C)(C)CCNC(C)C(C)C.
What is the InChIKey of 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine?
The InChIKey is XTDSHWSYWNIZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)10(3)12-8-7-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine?
3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 103033128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).