1-butoxy-5-methoxy-N-methylpentan-3-amine

C11H25NO2 — CID 114998768

IUPAC1-butoxy-5-methoxy-N-methylpentan-3-amine
SMILESCCCCOCCC(CCOC)NC
InChIInChI=1S/C11H25NO2/c1-4-5-8-14-10-7-11(12-2)6-9-13-3/h11-12H,4-10H2,1-3H3
InChIKeyYQTONSQJIWUCJW-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds10

About 1-butoxy-5-methoxy-N-methylpentan-3-amine

1-butoxy-5-methoxy-N-methylpentan-3-amine (PubChem CID 114998768) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-butoxy-5-methoxy-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-butoxy-5-methoxy-N-methylpentan-3-amine
PubChem CID114998768
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-butoxy-5-methoxy-N-methylpentan-3-amine
SMILESCCCCOCCC(CCOC)NC
InChIInChI=1S/C11H25NO2/c1-4-5-8-14-10-7-11(12-2)6-9-13-3/h11-12H,4-10H2,1-3H3
InChIKeyYQTONSQJIWUCJW-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
5-butoxy-1,1,1-trifluoro-N-methylpentan-3-amine
CID 115002355
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
N-methyl-6-octoxyhexan-3-amine
CID 106800853
1-(2-methoxyethoxy)tridecan-3-ylhydrazine
CID 102929888
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830
1-butoxybutane;N-methylmethanamine
CID 88830911
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567739

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-5-methoxy-N-methylpentan-3-amine?
The IUPAC name of 1-butoxy-5-methoxy-N-methylpentan-3-amine (CID 114998768) is 1-butoxy-5-methoxy-N-methylpentan-3-amine.
What is the SMILES notation for 1-butoxy-5-methoxy-N-methylpentan-3-amine?
The canonical SMILES for 1-butoxy-5-methoxy-N-methylpentan-3-amine is CCCCOCCC(CCOC)NC.
What is the InChIKey of 1-butoxy-5-methoxy-N-methylpentan-3-amine?
The InChIKey is YQTONSQJIWUCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-8-14-10-7-11(12-2)6-9-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-butoxy-5-methoxy-N-methylpentan-3-amine?
1-butoxy-5-methoxy-N-methylpentan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-5-methoxy-N-methylpentan-3-amine is sourced from PubChem (CID 114998768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).