3-(2-methoxyethyl)-6-methylheptan-1-amine

C11H25NO — CID 130224979

IUPAC3-(2-methoxyethyl)-6-methylheptan-1-amine
SMILESCOCCC(CCN)CCC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)4-5-11(6-8-12)7-9-13-3/h10-11H,4-9,12H2,1-3H3
InChIKeySIICVLXGBQAVJJ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds8

About 3-(2-methoxyethyl)-6-methylheptan-1-amine

3-(2-methoxyethyl)-6-methylheptan-1-amine (PubChem CID 130224979) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methylheptan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methylheptan-1-amine
PubChem CID130224979
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(2-methoxyethyl)-6-methylheptan-1-amine
SMILESCOCCC(CCN)CCC(C)C
InChIInChI=1S/C11H25NO/c1-10(2)4-5-11(6-8-12)7-9-13-3/h10-11H,4-9,12H2,1-3H3
InChIKeySIICVLXGBQAVJJ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methylheptan-1-amine?
The IUPAC name of 3-(2-methoxyethyl)-6-methylheptan-1-amine (CID 130224979) is 3-(2-methoxyethyl)-6-methylheptan-1-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methylheptan-1-amine?
The canonical SMILES for 3-(2-methoxyethyl)-6-methylheptan-1-amine is COCCC(CCN)CCC(C)C.
What is the InChIKey of 3-(2-methoxyethyl)-6-methylheptan-1-amine?
The InChIKey is SIICVLXGBQAVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)4-5-11(6-8-12)7-9-13-3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-6-methylheptan-1-amine?
3-(2-methoxyethyl)-6-methylheptan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methylheptan-1-amine is sourced from PubChem (CID 130224979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).