N,N-diethyl-2-methylprop-1-en-1-amine

C8H17N — CID 12693439

IUPACN,N-diethyl-2-methylprop-1-en-1-amine
SMILESCCN(C=C(C)C)CC
InChIInChI=1S/C8H17N/c1-5-9(6-2)7-8(3)4/h7H,5-6H2,1-4H3
InChIKeyZUUSZQFQQORMCE-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds3

About N,N-diethyl-2-methylprop-1-en-1-amine

N,N-diethyl-2-methylprop-1-en-1-amine (PubChem CID 12693439) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,N-diethyl-2-methylprop-1-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylprop-1-en-1-amine
PubChem CID12693439
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,N-diethyl-2-methylprop-1-en-1-amine
SMILESCCN(C=C(C)C)CC
InChIInChI=1S/C8H17N/c1-5-9(6-2)7-8(3)4/h7H,5-6H2,1-4H3
InChIKeyZUUSZQFQQORMCE-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.25
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-methylprop-1-en-1-amine?
The IUPAC name of N,N-diethyl-2-methylprop-1-en-1-amine (CID 12693439) is N,N-diethyl-2-methylprop-1-en-1-amine.
What is the SMILES notation for N,N-diethyl-2-methylprop-1-en-1-amine?
The canonical SMILES for N,N-diethyl-2-methylprop-1-en-1-amine is CCN(C=C(C)C)CC.
What is the InChIKey of N,N-diethyl-2-methylprop-1-en-1-amine?
The InChIKey is ZUUSZQFQQORMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-9(6-2)7-8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-methylprop-1-en-1-amine?
N,N-diethyl-2-methylprop-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylprop-1-en-1-amine is sourced from PubChem (CID 12693439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).