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

C11H25NO — CID 79198118

IUPAC2-methoxy-2,6,6-trimethylheptan-3-amine
SMILESCOC(C)(C)C(N)CCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)8-7-9(12)11(4,5)13-6/h9H,7-8,12H2,1-6H3
InChIKeyOTNNVOYMCOTRCW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds4

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

2-methoxy-2,6,6-trimethylheptan-3-amine (PubChem CID 79198118) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methoxy-2,6,6-trimethylheptan-3-amine.

Molecular Properties

Compound Name2-methoxy-2,6,6-trimethylheptan-3-amine
PubChem CID79198118
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methoxy-2,6,6-trimethylheptan-3-amine
SMILESCOC(C)(C)C(N)CCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)8-7-9(12)11(4,5)13-6/h9H,7-8,12H2,1-6H3
InChIKeyOTNNVOYMCOTRCW-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,6,6-trimethylheptan-3-amine?
The IUPAC name of 2-methoxy-2,6,6-trimethylheptan-3-amine (CID 79198118) is 2-methoxy-2,6,6-trimethylheptan-3-amine.
What is the SMILES notation for 2-methoxy-2,6,6-trimethylheptan-3-amine?
The canonical SMILES for 2-methoxy-2,6,6-trimethylheptan-3-amine is COC(C)(C)C(N)CCC(C)(C)C.
What is the InChIKey of 2-methoxy-2,6,6-trimethylheptan-3-amine?
The InChIKey is OTNNVOYMCOTRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2,3)8-7-9(12)11(4,5)13-6/h9H,7-8,12H2,1-6H3.
What are the key properties of 2-methoxy-2,6,6-trimethylheptan-3-amine?
2-methoxy-2,6,6-trimethylheptan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,6,6-trimethylheptan-3-amine is sourced from PubChem (CID 79198118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).