1-methoxy-2-methyloctan-4-amine

C10H23NO — CID 105125248

IUPAC1-methoxy-2-methyloctan-4-amine
SMILESCCCCC(N)CC(C)COC
InChIInChI=1S/C10H23NO/c1-4-5-6-10(11)7-9(2)8-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyMPQFIMMQVCWZLG-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About 1-methoxy-2-methyloctan-4-amine

1-methoxy-2-methyloctan-4-amine (PubChem CID 105125248) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-methoxy-2-methyloctan-4-amine.

Molecular Properties

Compound Name1-methoxy-2-methyloctan-4-amine
PubChem CID105125248
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-methoxy-2-methyloctan-4-amine
SMILESCCCCC(N)CC(C)COC
InChIInChI=1S/C10H23NO/c1-4-5-6-10(11)7-9(2)8-12-3/h9-10H,4-8,11H2,1-3H3
InChIKeyMPQFIMMQVCWZLG-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-methyldecane
CID 13444249
1-methoxy-2,12-dimethyldocosane
CID 91752253
2,7-dimethylundecan-4-amine
CID 20767200
1-methoxy-2-methylnonan-4-ol
CID 105086152
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
icosane-5,10,16-triamine
CID 88870264
(4R)-2-methyldecan-4-amine
CID 14572815
1-methoxy-2,22-dimethyltetracosane
CID 86173032
1-methoxypropan-2-yl (2S)-2-aminohexanoate
CID 107145228
5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
2-(3-methoxy-2-methylpropoxy)undecane
CID 89261106

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyloctan-4-amine?
The IUPAC name of 1-methoxy-2-methyloctan-4-amine (CID 105125248) is 1-methoxy-2-methyloctan-4-amine.
What is the SMILES notation for 1-methoxy-2-methyloctan-4-amine?
The canonical SMILES for 1-methoxy-2-methyloctan-4-amine is CCCCC(N)CC(C)COC.
What is the InChIKey of 1-methoxy-2-methyloctan-4-amine?
The InChIKey is MPQFIMMQVCWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-5-6-10(11)7-9(2)8-12-3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-methoxy-2-methyloctan-4-amine?
1-methoxy-2-methyloctan-4-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyloctan-4-amine is sourced from PubChem (CID 105125248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).