4-(3-methoxy-3-methylbutoxy)pentan-1-amine

C11H25NO2 — CID 106667811

IUPAC4-(3-methoxy-3-methylbutoxy)pentan-1-amine
SMILESCOC(C)(C)CCOC(C)CCCN
InChIInChI=1S/C11H25NO2/c1-10(6-5-8-12)14-9-7-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeyCTRGBYHNUBWTEQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.95
Rot. Bonds8

About 4-(3-methoxy-3-methylbutoxy)pentan-1-amine

4-(3-methoxy-3-methylbutoxy)pentan-1-amine (PubChem CID 106667811) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)pentan-1-amine
PubChem CID106667811
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-(3-methoxy-3-methylbutoxy)pentan-1-amine
SMILESCOC(C)(C)CCOC(C)CCCN
InChIInChI=1S/C11H25NO2/c1-10(6-5-8-12)14-9-7-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeyCTRGBYHNUBWTEQ-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
6-(3-aminopropoxy)heptan-1-amine
CID 142972624
7-methoxy-3,7-dimethyloctan-1-amine
CID 102547373
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
CID 106665316
3-(3-aminopropoxy)butan-1-amine
CID 165053672
6-methoxy-3,6-dimethylheptan-1-amine
CID 103019673
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 106668524
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
ethane;7-(3-methoxy-3-methylbutoxy)-N-prop-2-ynyloctanamide
CID 143768089
3-(3-methoxy-3-methylbutoxy)heptan-4-ol
CID 106666571

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)pentan-1-amine?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)pentan-1-amine (CID 106667811) is 4-(3-methoxy-3-methylbutoxy)pentan-1-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)pentan-1-amine?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)pentan-1-amine is COC(C)(C)CCOC(C)CCCN.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)pentan-1-amine?
The InChIKey is CTRGBYHNUBWTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(6-5-8-12)14-9-7-11(2,3)13-4/h10H,5-9,12H2,1-4H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)pentan-1-amine?
4-(3-methoxy-3-methylbutoxy)pentan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)pentan-1-amine is sourced from PubChem (CID 106667811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).