(4R)-4-methoxy-4-methylazepane

C8H17NO — CID 99801906

IUPAC(4R)-4-methoxy-4-methylazepane
SMILESCO[C@]1(C)CCCNCC1
InChIInChI=1S/C8H17NO/c1-8(10-2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyFLGNNKXCOLVKCJ-MRVPVSSYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds1

About (4R)-4-methoxy-4-methylazepane

(4R)-4-methoxy-4-methylazepane (PubChem CID 99801906) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4R)-4-methoxy-4-methylazepane.

Molecular Properties

Compound Name(4R)-4-methoxy-4-methylazepane
PubChem CID99801906
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4R)-4-methoxy-4-methylazepane
SMILESCO[C@]1(C)CCCNCC1
InChIInChI=1S/C8H17NO/c1-8(10-2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyFLGNNKXCOLVKCJ-MRVPVSSYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-4-methylazepane?
The IUPAC name of (4R)-4-methoxy-4-methylazepane (CID 99801906) is (4R)-4-methoxy-4-methylazepane.
What is the SMILES notation for (4R)-4-methoxy-4-methylazepane?
The canonical SMILES for (4R)-4-methoxy-4-methylazepane is CO[C@]1(C)CCCNCC1.
What is the InChIKey of (4R)-4-methoxy-4-methylazepane?
The InChIKey is FLGNNKXCOLVKCJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(10-2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-methoxy-4-methylazepane?
(4R)-4-methoxy-4-methylazepane has a molecular weight of 143.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-4-methylazepane is sourced from PubChem (CID 99801906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).