N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine

C11H25NO2 — CID 103033107

IUPACN-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
SMILESCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C11H25NO2/c1-5-14-10-6-8-12-9-7-11(2,3)13-4/h12H,5-10H2,1-4H3
InChIKeyQZLSBHPXDCYFFV-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds9

About N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine

N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033107) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103033107
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
SMILESCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C11H25NO2/c1-5-14-10-6-8-12-9-7-11(2,3)13-4/h12H,5-10H2,1-4H3
InChIKeyQZLSBHPXDCYFFV-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
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-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 106668147
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine (CID 103033107) is N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine is CCOCCCNCCC(C)(C)OC.
What is the InChIKey of N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is QZLSBHPXDCYFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-14-10-6-8-12-9-7-11(2,3)13-4/h12H,5-10H2,1-4H3.
What are the key properties of N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine?
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).