4-ethoxy-2,2-diethylbutan-1-amine

C10H23NO — CID 62725698

IUPAC4-ethoxy-2,2-diethylbutan-1-amine
SMILESCCOCCC(CC)(CC)CN
InChIInChI=1S/C10H23NO/c1-4-10(5-2,9-11)7-8-12-6-3/h4-9,11H2,1-3H3
InChIKeyBEVRMHYXAFXETA-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About 4-ethoxy-2,2-diethylbutan-1-amine

4-ethoxy-2,2-diethylbutan-1-amine (PubChem CID 62725698) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-ethoxy-2,2-diethylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-2,2-diethylbutan-1-amine
PubChem CID62725698
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-ethoxy-2,2-diethylbutan-1-amine
SMILESCCOCCC(CC)(CC)CN
InChIInChI=1S/C10H23NO/c1-4-10(5-2,9-11)7-8-12-6-3/h4-9,11H2,1-3H3
InChIKeyBEVRMHYXAFXETA-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

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591457
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
2,2-diethylbutane-1,4-diamine
CID 56990406
2-(aminomethyl)-2-ethyl-4-(3-methylbutoxy)butan-1-ol
CID 106508329
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2-ethyl-2-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 106456779
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
2-(aminomethyl)-2-(3-ethoxypropyl)-4-methylpentan-1-ol
CID 106507842
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,2-diethylbutan-1-amine?
The IUPAC name of 4-ethoxy-2,2-diethylbutan-1-amine (CID 62725698) is 4-ethoxy-2,2-diethylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-2,2-diethylbutan-1-amine?
The canonical SMILES for 4-ethoxy-2,2-diethylbutan-1-amine is CCOCCC(CC)(CC)CN.
What is the InChIKey of 4-ethoxy-2,2-diethylbutan-1-amine?
The InChIKey is BEVRMHYXAFXETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-10(5-2,9-11)7-8-12-6-3/h4-9,11H2,1-3H3.
What are the key properties of 4-ethoxy-2,2-diethylbutan-1-amine?
4-ethoxy-2,2-diethylbutan-1-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 4-ethoxy-2,2-diethylbutan-1-amine is sourced from PubChem (CID 62725698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).