2-methoxy-N,6,6-trimethylheptan-3-amine

C11H25NO — CID 79616446

IUPAC2-methoxy-N,6,6-trimethylheptan-3-amine
SMILESCNC(CCC(C)(C)C)C(C)OC
InChIInChI=1S/C11H25NO/c1-9(13-6)10(12-5)7-8-11(2,3)4/h9-10,12H,7-8H2,1-6H3
InChIKeyUVOJZHJRMHQUCF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds5

About 2-methoxy-N,6,6-trimethylheptan-3-amine

2-methoxy-N,6,6-trimethylheptan-3-amine (PubChem CID 79616446) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methoxy-N,6,6-trimethylheptan-3-amine.

Molecular Properties

Compound Name2-methoxy-N,6,6-trimethylheptan-3-amine
PubChem CID79616446
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methoxy-N,6,6-trimethylheptan-3-amine
SMILESCNC(CCC(C)(C)C)C(C)OC
InChIInChI=1S/C11H25NO/c1-9(13-6)10(12-5)7-8-11(2,3)4/h9-10,12H,7-8H2,1-6H3
InChIKeyUVOJZHJRMHQUCF-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine
CID 79617778
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
1,1-difluoro-N,5,5-trimethylhexan-2-amine
CID 103516587
ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
CID 142059377
(2,6-dimethoxy-6-methylheptan-3-yl)hydrazine
CID 103026551
2-methoxy-N-methylhex-5-yn-3-amine
CID 79616094
2-methoxy-N,5,5-trimethylhexan-1-amine
CID 177141375
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
4-methoxy-N,2,2-trimethylpentan-3-amine
CID 79617050
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116762900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,6,6-trimethylheptan-3-amine?
The IUPAC name of 2-methoxy-N,6,6-trimethylheptan-3-amine (CID 79616446) is 2-methoxy-N,6,6-trimethylheptan-3-amine.
What is the SMILES notation for 2-methoxy-N,6,6-trimethylheptan-3-amine?
The canonical SMILES for 2-methoxy-N,6,6-trimethylheptan-3-amine is CNC(CCC(C)(C)C)C(C)OC.
What is the InChIKey of 2-methoxy-N,6,6-trimethylheptan-3-amine?
The InChIKey is UVOJZHJRMHQUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(13-6)10(12-5)7-8-11(2,3)4/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 2-methoxy-N,6,6-trimethylheptan-3-amine?
2-methoxy-N,6,6-trimethylheptan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,6,6-trimethylheptan-3-amine is sourced from PubChem (CID 79616446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).