N,N-diethyl-2-methylbutan-1-amine

C9H21N — CID 13315691

IUPACN,N-diethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)CC
InChIInChI=1S/C9H21N/c1-5-9(4)8-10(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyJRHGZGWIJIJJTE-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.37
Rot. Bonds5

About N,N-diethyl-2-methylbutan-1-amine

N,N-diethyl-2-methylbutan-1-amine (PubChem CID 13315691) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,N-diethyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylbutan-1-amine
PubChem CID13315691
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,N-diethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)CC
InChIInChI=1S/C9H21N/c1-5-9(4)8-10(6-2)7-3/h9H,5-8H2,1-4H3
InChIKeyJRHGZGWIJIJJTE-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylbutan-1-amine?
The IUPAC name of N,N-diethyl-2-methylbutan-1-amine (CID 13315691) is N,N-diethyl-2-methylbutan-1-amine.
What is the SMILES notation for N,N-diethyl-2-methylbutan-1-amine?
The canonical SMILES for N,N-diethyl-2-methylbutan-1-amine is CCC(C)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylbutan-1-amine?
The InChIKey is JRHGZGWIJIJJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-9(4)8-10(6-2)7-3/h9H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-2-methylbutan-1-amine?
N,N-diethyl-2-methylbutan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylbutan-1-amine is sourced from PubChem (CID 13315691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).