6-methoxy-6-methylheptan-2-amine

C9H21NO — CID 86043672

IUPAC6-methoxy-6-methylheptan-2-amine
SMILESCOC(C)(C)CCCC(C)N
InChIInChI=1S/C9H21NO/c1-8(10)6-5-7-9(2,3)11-4/h8H,5-7,10H2,1-4H3
InChIKeyWLIRVJLXRQPKBB-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds5

About 6-methoxy-6-methylheptan-2-amine

6-methoxy-6-methylheptan-2-amine (PubChem CID 86043672) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-methoxy-6-methylheptan-2-amine.

Molecular Properties

Compound Name6-methoxy-6-methylheptan-2-amine
PubChem CID86043672
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-methoxy-6-methylheptan-2-amine
SMILESCOC(C)(C)CCCC(C)N
InChIInChI=1S/C9H21NO/c1-8(10)6-5-7-9(2,3)11-4/h8H,5-7,10H2,1-4H3
InChIKeyWLIRVJLXRQPKBB-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methylheptan-2-amine?
The IUPAC name of 6-methoxy-6-methylheptan-2-amine (CID 86043672) is 6-methoxy-6-methylheptan-2-amine.
What is the SMILES notation for 6-methoxy-6-methylheptan-2-amine?
The canonical SMILES for 6-methoxy-6-methylheptan-2-amine is COC(C)(C)CCCC(C)N.
What is the InChIKey of 6-methoxy-6-methylheptan-2-amine?
The InChIKey is WLIRVJLXRQPKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(10)6-5-7-9(2,3)11-4/h8H,5-7,10H2,1-4H3.
What are the key properties of 6-methoxy-6-methylheptan-2-amine?
6-methoxy-6-methylheptan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methylheptan-2-amine is sourced from PubChem (CID 86043672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).