1-methoxy-2,5-dimethylhexan-2-amine

C9H21NO — CID 62619989

IUPAC1-methoxy-2,5-dimethylhexan-2-amine
SMILESCOCC(C)(N)CCC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)5-6-9(3,10)7-11-4/h8H,5-7,10H2,1-4H3
InChIKeySGWAQVNFBCDRLK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds5

About 1-methoxy-2,5-dimethylhexan-2-amine

1-methoxy-2,5-dimethylhexan-2-amine (PubChem CID 62619989) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-2,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-methoxy-2,5-dimethylhexan-2-amine
PubChem CID62619989
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-2,5-dimethylhexan-2-amine
SMILESCOCC(C)(N)CCC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)5-6-9(3,10)7-11-4/h8H,5-7,10H2,1-4H3
InChIKeySGWAQVNFBCDRLK-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-1-(3-methylbutoxy)propan-2-amine
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3-methoxy-2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,5-dimethylhexan-2-amine?
The IUPAC name of 1-methoxy-2,5-dimethylhexan-2-amine (CID 62619989) is 1-methoxy-2,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-methoxy-2,5-dimethylhexan-2-amine?
The canonical SMILES for 1-methoxy-2,5-dimethylhexan-2-amine is COCC(C)(N)CCC(C)C.
What is the InChIKey of 1-methoxy-2,5-dimethylhexan-2-amine?
The InChIKey is SGWAQVNFBCDRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)5-6-9(3,10)7-11-4/h8H,5-7,10H2,1-4H3.
What are the key properties of 1-methoxy-2,5-dimethylhexan-2-amine?
1-methoxy-2,5-dimethylhexan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,5-dimethylhexan-2-amine is sourced from PubChem (CID 62619989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).