5-methoxy-N,4,4-trimethylpentan-2-amine

C9H21NO — CID 79570119

IUPAC5-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)COC
InChIInChI=1S/C9H21NO/c1-8(10-4)6-9(2,3)7-11-5/h8,10H,6-7H2,1-5H3
InChIKeyQCMIIHBFNBDJRV-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About 5-methoxy-N,4,4-trimethylpentan-2-amine

5-methoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 79570119) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-methoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N,4,4-trimethylpentan-2-amine
PubChem CID79570119
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(C)CC(C)(C)COC
InChIInChI=1S/C9H21NO/c1-8(10-4)6-9(2,3)7-11-5/h8,10H,6-7H2,1-5H3
InChIKeyQCMIIHBFNBDJRV-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 5-methoxy-N,4,4-trimethylpentan-2-amine (CID 79570119) is 5-methoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 5-methoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 5-methoxy-N,4,4-trimethylpentan-2-amine is CNC(C)CC(C)(C)COC.
What is the InChIKey of 5-methoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is QCMIIHBFNBDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(10-4)6-9(2,3)7-11-5/h8,10H,6-7H2,1-5H3.
What are the key properties of 5-methoxy-N,4,4-trimethylpentan-2-amine?
5-methoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 79570119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).