2,2-diethylbutan-1-amine

C8H19N — CID 15841159

IUPAC2,2-diethylbutan-1-amine
SMILESCCC(CC)(CC)CN
InChIInChI=1S/C8H19N/c1-4-8(5-2,6-3)7-9/h4-7,9H2,1-3H3
InChIKeyZSUSGBQRHRZDAP-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds4

About 2,2-diethylbutan-1-amine

2,2-diethylbutan-1-amine (PubChem CID 15841159) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 2,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2,2-diethylbutan-1-amine
PubChem CID15841159
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name2,2-diethylbutan-1-amine
SMILESCCC(CC)(CC)CN
InChIInChI=1S/C8H19N/c1-4-8(5-2,6-3)7-9/h4-7,9H2,1-3H3
InChIKeyZSUSGBQRHRZDAP-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethylbutan-1-amine?
The IUPAC name of 2,2-diethylbutan-1-amine (CID 15841159) is 2,2-diethylbutan-1-amine.
What is the SMILES notation for 2,2-diethylbutan-1-amine?
The canonical SMILES for 2,2-diethylbutan-1-amine is CCC(CC)(CC)CN.
What is the InChIKey of 2,2-diethylbutan-1-amine?
The InChIKey is ZSUSGBQRHRZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-8(5-2,6-3)7-9/h4-7,9H2,1-3H3.
What are the key properties of 2,2-diethylbutan-1-amine?
2,2-diethylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylbutan-1-amine is sourced from PubChem (CID 15841159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).