1,5-dimethoxy-5-methylhexan-2-amine

C9H21NO2 — CID 103031141

IUPAC1,5-dimethoxy-5-methylhexan-2-amine
SMILESCOCC(N)CCC(C)(C)OC
InChIInChI=1S/C9H21NO2/c1-9(2,12-4)6-5-8(10)7-11-3/h8H,5-7,10H2,1-4H3
InChIKeyQKBRPTGANBFYPM-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds6

About 1,5-dimethoxy-5-methylhexan-2-amine

1,5-dimethoxy-5-methylhexan-2-amine (PubChem CID 103031141) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1,5-dimethoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1,5-dimethoxy-5-methylhexan-2-amine
PubChem CID103031141
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1,5-dimethoxy-5-methylhexan-2-amine
SMILESCOCC(N)CCC(C)(C)OC
InChIInChI=1S/C9H21NO2/c1-9(2,12-4)6-5-8(10)7-11-3/h8H,5-7,10H2,1-4H3
InChIKeyQKBRPTGANBFYPM-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-Dimethoxy-5-methylhexan-2-yl)hydrazine
CID 103026325
(5-Methoxy-5-methyl-1-propoxyhexan-2-yl)hydrazine
CID 103026700
1-ethoxy-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031121
1,5-dimethoxy-5-methyl-N-propylhexan-2-amine
CID 103031139
1,5-dimethoxy-N,5-dimethylhexan-2-amine
CID 103031140
5-Methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine
CID 103031240
1-ethoxy-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031299
5-Methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
CID 103031424
N-ethyl-5-methoxy-5-methyl-1-propan-2-yloxyhexan-2-amine
CID 103031587
2,6-dimethoxy-N,6-dimethylheptan-3-amine
CID 103031620
2,6-Dimethoxy-6-methylheptan-3-amine
CID 103031621
1-Ethoxy-5-methoxy-5-methylhexan-2-amine
CID 103031641

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-5-methylhexan-2-amine?
The IUPAC name of 1,5-dimethoxy-5-methylhexan-2-amine (CID 103031141) is 1,5-dimethoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1,5-dimethoxy-5-methylhexan-2-amine?
The canonical SMILES for 1,5-dimethoxy-5-methylhexan-2-amine is COCC(N)CCC(C)(C)OC.
What is the InChIKey of 1,5-dimethoxy-5-methylhexan-2-amine?
The InChIKey is QKBRPTGANBFYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,12-4)6-5-8(10)7-11-3/h8H,5-7,10H2,1-4H3.
What are the key properties of 1,5-dimethoxy-5-methylhexan-2-amine?
1,5-dimethoxy-5-methylhexan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103031141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).