1-methoxy-N,5-dimethylhexan-3-amine

C9H21NO — CID 61412453

IUPAC1-methoxy-N,5-dimethylhexan-3-amine
SMILESCNC(CCOC)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)7-9(10-3)5-6-11-4/h8-10H,5-7H2,1-4H3
InChIKeySZRDRXOFDKSVFI-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds6

About 1-methoxy-N,5-dimethylhexan-3-amine

1-methoxy-N,5-dimethylhexan-3-amine (PubChem CID 61412453) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-N,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-methoxy-N,5-dimethylhexan-3-amine
PubChem CID61412453
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-N,5-dimethylhexan-3-amine
SMILESCNC(CCOC)CC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)7-9(10-3)5-6-11-4/h8-10H,5-7H2,1-4H3
InChIKeySZRDRXOFDKSVFI-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
1-chloro-N,5-dimethylhexan-3-amine
CID 116952715
methyl 6-methyl-4-(methylamino)heptanoate
CID 116955487
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
1-fluoro-N,4-dimethylpentan-2-amine
CID 112708643
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
ethane;1-methoxy-3-methylbutane
CID 144580604

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,5-dimethylhexan-3-amine?
The IUPAC name of 1-methoxy-N,5-dimethylhexan-3-amine (CID 61412453) is 1-methoxy-N,5-dimethylhexan-3-amine.
What is the SMILES notation for 1-methoxy-N,5-dimethylhexan-3-amine?
The canonical SMILES for 1-methoxy-N,5-dimethylhexan-3-amine is CNC(CCOC)CC(C)C.
What is the InChIKey of 1-methoxy-N,5-dimethylhexan-3-amine?
The InChIKey is SZRDRXOFDKSVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)7-9(10-3)5-6-11-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-methoxy-N,5-dimethylhexan-3-amine?
1-methoxy-N,5-dimethylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,5-dimethylhexan-3-amine is sourced from PubChem (CID 61412453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).