6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine

C15H33NO2 — CID 106665349

IUPAC6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCOCCC(C)(C)OC
InChIInChI=1S/C15H33NO2/c1-6-11-16-14(2)9-7-8-12-18-13-10-15(3,4)17-5/h14,16H,6-13H2,1-5H3
InChIKeyASEIUIWAXPMPSN-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.38
Rot. Bonds12

About 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine

6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine (PubChem CID 106665349) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
PubChem CID106665349
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCOCCC(C)(C)OC
InChIInChI=1S/C15H33NO2/c1-6-11-16-14(2)9-7-8-12-18-13-10-15(3,4)17-5/h14,16H,6-13H2,1-5H3
InChIKeyASEIUIWAXPMPSN-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.38
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

5-chloro-N-(3-methoxy-3-methylbutyl)pentan-2-amine
CID 103037206
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
CID 103725355
6-(2-ethylhexoxy)-N-propylhexan-2-amine
CID 63475972
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-propylnonan-2-amine
CID 43129664
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine?
The IUPAC name of 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine (CID 106665349) is 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine.
What is the SMILES notation for 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine?
The canonical SMILES for 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine is CCCNC(C)CCCCOCCC(C)(C)OC.
What is the InChIKey of 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine?
The InChIKey is ASEIUIWAXPMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-6-11-16-14(2)9-7-8-12-18-13-10-15(3,4)17-5/h14,16H,6-13H2,1-5H3.
What are the key properties of 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine?
6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine has a molecular weight of 259.43 g/mol, XLogP of 3.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine is sourced from PubChem (CID 106665349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).