N,N-diethylpropan-2-amine

C7H17N — CID 521913

IUPACN,N-diethylpropan-2-amine
SMILESCCN(CC)C(C)C
InChIInChI=1S/C7H17N/c1-5-8(6-2)7(3)4/h7H,5-6H2,1-4H3
InChIKeyULWOJODHECIZAU-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.74
Rot. Bonds3

About N,N-diethylpropan-2-amine

N,N-diethylpropan-2-amine (PubChem CID 521913) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is N,N-diethylpropan-2-amine.

Molecular Properties

Compound NameN,N-diethylpropan-2-amine
PubChem CID521913
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC NameN,N-diethylpropan-2-amine
SMILESCCN(CC)C(C)C
InChIInChI=1S/C7H17N/c1-5-8(6-2)7(3)4/h7H,5-6H2,1-4H3
InChIKeyULWOJODHECIZAU-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropan-2-amine?
The IUPAC name of N,N-diethylpropan-2-amine (CID 521913) is N,N-diethylpropan-2-amine.
What is the SMILES notation for N,N-diethylpropan-2-amine?
The canonical SMILES for N,N-diethylpropan-2-amine is CCN(CC)C(C)C.
What is the InChIKey of N,N-diethylpropan-2-amine?
The InChIKey is ULWOJODHECIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-5-8(6-2)7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethylpropan-2-amine?
N,N-diethylpropan-2-amine has a molecular weight of 115.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropan-2-amine is sourced from PubChem (CID 521913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).