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

C11H25NO2 — CID 115667390

IUPAC2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCOCC(C)NCC(OC)C(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(8-13-5)12-7-10(14-6)11(2,3)4/h9-10,12H,7-8H2,1-6H3
InChIKeyQBFOFVUPGKEJPP-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.67
Rot. Bonds6

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

2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 115667390) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID115667390
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCOCC(C)NCC(OC)C(C)(C)C
InChIInChI=1S/C11H25NO2/c1-9(8-13-5)12-7-10(14-6)11(2,3)4/h9-10,12H,7-8H2,1-6H3
InChIKeyQBFOFVUPGKEJPP-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-methoxypropan-2-ylamino)propan-2-ol
CID 103906714
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 43538400
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555816
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine (CID 115667390) is 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine is COCC(C)NCC(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is QBFOFVUPGKEJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(8-13-5)12-7-10(14-6)11(2,3)4/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115667390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).