5-methoxy-2,5-dimethylhexan-3-amine

C9H21NO — CID 103024808

IUPAC5-methoxy-2,5-dimethylhexan-3-amine
SMILESCOC(C)(C)CC(N)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(10)6-9(3,4)11-5/h7-8H,6,10H2,1-5H3
InChIKeyWAIGNOXVYBVNIY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.78
Rot. Bonds4

About 5-methoxy-2,5-dimethylhexan-3-amine

5-methoxy-2,5-dimethylhexan-3-amine (PubChem CID 103024808) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name5-methoxy-2,5-dimethylhexan-3-amine
PubChem CID103024808
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-methoxy-2,5-dimethylhexan-3-amine
SMILESCOC(C)(C)CC(N)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(10)6-9(3,4)11-5/h7-8H,6,10H2,1-5H3
InChIKeyWAIGNOXVYBVNIY-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-4-methylpentan-2-amine
CID 22273175
(2R)-4-(4-methylpentoxy)butan-2-amine
CID 28998851
(3R)-1-methoxy-5-methylhexan-3-amine
CID 57790336
(3R)-2-methoxy-2,5-dimethylhexan-3-amine
CID 57790342
(3S)-2-methoxy-2,5-dimethylhexan-3-amine
CID 57790986
(3R)-1-ethoxy-5-methylhexan-3-amine
CID 57791000
(3S)-1-ethoxy-5-methylhexan-3-amine
CID 57791061
(3S)-1-methoxy-5-methylhexan-3-amine
CID 57791170
(4R)-2-methoxy-2-methylheptan-4-amine
CID 59383057
1-Methoxy-4-methylpentan-3-amine
CID 61412871
1-Methoxy-5-methylhexan-3-amine
CID 61412922
1-Methoxy-2-methylpentan-3-amine
CID 78959029

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,5-dimethylhexan-3-amine?
The IUPAC name of 5-methoxy-2,5-dimethylhexan-3-amine (CID 103024808) is 5-methoxy-2,5-dimethylhexan-3-amine.
What is the SMILES notation for 5-methoxy-2,5-dimethylhexan-3-amine?
The canonical SMILES for 5-methoxy-2,5-dimethylhexan-3-amine is COC(C)(C)CC(N)C(C)C.
What is the InChIKey of 5-methoxy-2,5-dimethylhexan-3-amine?
The InChIKey is WAIGNOXVYBVNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)8(10)6-9(3,4)11-5/h7-8H,6,10H2,1-5H3.
What are the key properties of 5-methoxy-2,5-dimethylhexan-3-amine?
5-methoxy-2,5-dimethylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,5-dimethylhexan-3-amine is sourced from PubChem (CID 103024808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).