4-methoxy-N,2,5-trimethylhexan-3-amine

C10H23NO — CID 116720030

IUPAC4-methoxy-N,2,5-trimethylhexan-3-amine
SMILESCNC(C(C)C)C(OC)C(C)C
InChIInChI=1S/C10H23NO/c1-7(2)9(11-5)10(12-6)8(3)4/h7-11H,1-6H3
InChIKeyNJBSBNFWQZTDGO-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.90
Rot. Bonds5

About 4-methoxy-N,2,5-trimethylhexan-3-amine

4-methoxy-N,2,5-trimethylhexan-3-amine (PubChem CID 116720030) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-methoxy-N,2,5-trimethylhexan-3-amine.

Molecular Properties

Compound Name4-methoxy-N,2,5-trimethylhexan-3-amine
PubChem CID116720030
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-methoxy-N,2,5-trimethylhexan-3-amine
SMILESCNC(C(C)C)C(OC)C(C)C
InChIInChI=1S/C10H23NO/c1-7(2)9(11-5)10(12-6)8(3)4/h7-11H,1-6H3
InChIKeyNJBSBNFWQZTDGO-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,5-trimethylhexan-3-amine?
The IUPAC name of 4-methoxy-N,2,5-trimethylhexan-3-amine (CID 116720030) is 4-methoxy-N,2,5-trimethylhexan-3-amine.
What is the SMILES notation for 4-methoxy-N,2,5-trimethylhexan-3-amine?
The canonical SMILES for 4-methoxy-N,2,5-trimethylhexan-3-amine is CNC(C(C)C)C(OC)C(C)C.
What is the InChIKey of 4-methoxy-N,2,5-trimethylhexan-3-amine?
The InChIKey is NJBSBNFWQZTDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-7(2)9(11-5)10(12-6)8(3)4/h7-11H,1-6H3.
What are the key properties of 4-methoxy-N,2,5-trimethylhexan-3-amine?
4-methoxy-N,2,5-trimethylhexan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,5-trimethylhexan-3-amine is sourced from PubChem (CID 116720030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).