2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine

C10H23NO2 — CID 103228824

IUPAC2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
SMILESCOCC(CN)OCCC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-10(2,3)5-6-13-9(7-11)8-12-4/h9H,5-8,11H2,1-4H3
InChIKeyBAIVRFTXEMBAMP-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.41
Rot. Bonds6

About 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine

2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine (PubChem CID 103228824) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
PubChem CID103228824
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
SMILESCOCC(CN)OCCC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-10(2,3)5-6-13-9(7-11)8-12-4/h9H,5-8,11H2,1-4H3
InChIKeyBAIVRFTXEMBAMP-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228823
2-butoxy-3-methoxypropan-1-amine
CID 103227994
1-(1-amino-3-methoxypropan-2-yl)oxy-N,N,2-trimethylpropan-2-amine
CID 103228866
3-amino-2-(3,3-dimethylbutoxy)-4-methoxybutan-1-ol
CID 114358317
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
3-methoxy-2-(2-piperidin-1-ylethoxy)propan-1-amine
CID 103228301
3-methoxy-2-(2-phenoxyethoxy)propan-1-amine
CID 103227846
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
1-methoxy-3,3-dimethylbutane;2,2,3-trimethylbutane
CID 158785130
3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine
CID 66232451
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
CID 176791214

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine (CID 103228824) is 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine is COCC(CN)OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine?
The InChIKey is BAIVRFTXEMBAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2,3)5-6-13-9(7-11)8-12-4/h9H,5-8,11H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine?
2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine is sourced from PubChem (CID 103228824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).