N,N-diethylbut-3-en-2-amine

C8H17N — CID 574395

IUPACN,N-diethylbut-3-en-2-amine
SMILESC=CC(C)N(CC)CC
InChIInChI=1S/C8H17N/c1-5-8(4)9(6-2)7-3/h5,8H,1,6-7H2,2-4H3
InChIKeyQAWKMEGBWCBEFV-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.90
Rot. Bonds4

About N,N-diethylbut-3-en-2-amine

N,N-diethylbut-3-en-2-amine (PubChem CID 574395) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,N-diethylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-diethylbut-3-en-2-amine
PubChem CID574395
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,N-diethylbut-3-en-2-amine
SMILESC=CC(C)N(CC)CC
InChIInChI=1S/C8H17N/c1-5-8(4)9(6-2)7-3/h5,8H,1,6-7H2,2-4H3
InChIKeyQAWKMEGBWCBEFV-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbut-3-en-2-amine?
The IUPAC name of N,N-diethylbut-3-en-2-amine (CID 574395) is N,N-diethylbut-3-en-2-amine.
What is the SMILES notation for N,N-diethylbut-3-en-2-amine?
The canonical SMILES for N,N-diethylbut-3-en-2-amine is C=CC(C)N(CC)CC.
What is the InChIKey of N,N-diethylbut-3-en-2-amine?
The InChIKey is QAWKMEGBWCBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-8(4)9(6-2)7-3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N,N-diethylbut-3-en-2-amine?
N,N-diethylbut-3-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbut-3-en-2-amine is sourced from PubChem (CID 574395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).