N,N-diethylbutan-1-amine

C8H19N — CID 20513

IUPACN,N-diethylbutan-1-amine
SMILESCCCCN(CC)CC
InChIInChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
InChIKeyORSUTASIQKBEFU-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.13
Rot. Bonds5

About N,N-diethylbutan-1-amine

N,N-diethylbutan-1-amine (PubChem CID 20513) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N,N-diethylbutan-1-amine.

Molecular Properties

Compound NameN,N-diethylbutan-1-amine
PubChem CID20513
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN,N-diethylbutan-1-amine
SMILESCCCCN(CC)CC
InChIInChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
InChIKeyORSUTASIQKBEFU-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbutan-1-amine?
The IUPAC name of N,N-diethylbutan-1-amine (CID 20513) is N,N-diethylbutan-1-amine.
What is the SMILES notation for N,N-diethylbutan-1-amine?
The canonical SMILES for N,N-diethylbutan-1-amine is CCCCN(CC)CC.
What is the InChIKey of N,N-diethylbutan-1-amine?
The InChIKey is ORSUTASIQKBEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethylbutan-1-amine?
N,N-diethylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbutan-1-amine is sourced from PubChem (CID 20513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).