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

C10H23NO — CID 116757511

IUPAC4-methoxy-2,2,4-trimethylhexan-3-amine
SMILESCCC(C)(OC)C(N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-7-10(5,12-6)8(11)9(2,3)4/h8H,7,11H2,1-6H3
InChIKeyMABFJOWMNIYJQB-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.17
Rot. Bonds3

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

4-methoxy-2,2,4-trimethylhexan-3-amine (PubChem CID 116757511) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-methoxy-2,2,4-trimethylhexan-3-amine.

Molecular Properties

Compound Name4-methoxy-2,2,4-trimethylhexan-3-amine
PubChem CID116757511
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-methoxy-2,2,4-trimethylhexan-3-amine
SMILESCCC(C)(OC)C(N)C(C)(C)C
InChIInChI=1S/C10H23NO/c1-7-10(5,12-6)8(11)9(2,3)4/h8H,7,11H2,1-6H3
InChIKeyMABFJOWMNIYJQB-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,4-dimethylhexan-3-amine
CID 116757401
3-methoxy-3-methylpentan-2-amine
CID 116757359
2-amino-3-methoxy-3-methylpentanamide
CID 131230246
3-methoxy-3-methyl-1-propan-2-yloxypentan-2-amine
CID 116757416
2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116757449
3-methoxy-3-methyltetradecan-4-amine
CID 116757437
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 116757406
2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116757522
2-chloro-3-methoxy-3-methylpentanenitrile
CID 130655769
1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methylbutan-1-amine
CID 106646137

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,4-trimethylhexan-3-amine?
The IUPAC name of 4-methoxy-2,2,4-trimethylhexan-3-amine (CID 116757511) is 4-methoxy-2,2,4-trimethylhexan-3-amine.
What is the SMILES notation for 4-methoxy-2,2,4-trimethylhexan-3-amine?
The canonical SMILES for 4-methoxy-2,2,4-trimethylhexan-3-amine is CCC(C)(OC)C(N)C(C)(C)C.
What is the InChIKey of 4-methoxy-2,2,4-trimethylhexan-3-amine?
The InChIKey is MABFJOWMNIYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-7-10(5,12-6)8(11)9(2,3)4/h8H,7,11H2,1-6H3.
What are the key properties of 4-methoxy-2,2,4-trimethylhexan-3-amine?
4-methoxy-2,2,4-trimethylhexan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,4-trimethylhexan-3-amine is sourced from PubChem (CID 116757511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).