3-methoxy-3-methyl-1-octoxybutan-2-amine

C14H31NO2 — CID 114228666

IUPAC3-methoxy-3-methyl-1-octoxybutan-2-amine
SMILESCCCCCCCCOCC(N)C(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-17-12-13(15)14(2,3)16-4/h13H,5-12,15H2,1-4H3
InChIKeyQDSWOMHWOVHFRP-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.12
Rot. Bonds11

About 3-methoxy-3-methyl-1-octoxybutan-2-amine

3-methoxy-3-methyl-1-octoxybutan-2-amine (PubChem CID 114228666) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-octoxybutan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-octoxybutan-2-amine
PubChem CID114228666
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-methoxy-3-methyl-1-octoxybutan-2-amine
SMILESCCCCCCCCOCC(N)C(C)(C)OC
InChIInChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-17-12-13(15)14(2,3)16-4/h13H,5-12,15H2,1-4H3
InChIKeyQDSWOMHWOVHFRP-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-dodecoxy-1,2-dimethoxypropan-1-amine
CID 54347264
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
1-heptoxypentan-2-amine
CID 62044754
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
2-(hexadecoxymethyl)-3-methoxypropan-1-amine
CID 14835009
1-(2-ethylbutoxy)decane
CID 22002893
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-octoxybutan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-octoxybutan-2-amine (CID 114228666) is 3-methoxy-3-methyl-1-octoxybutan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-octoxybutan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-octoxybutan-2-amine is CCCCCCCCOCC(N)C(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-octoxybutan-2-amine?
The InChIKey is QDSWOMHWOVHFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-6-7-8-9-10-11-17-12-13(15)14(2,3)16-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-octoxybutan-2-amine?
3-methoxy-3-methyl-1-octoxybutan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-octoxybutan-2-amine is sourced from PubChem (CID 114228666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).