N,N-diethylbuta-1,3-dien-2-amine

C8H15N — CID 19877877

IUPACN,N-diethylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(CC)CC
InChIInChI=1S/C8H15N/c1-5-8(4)9(6-2)7-3/h5H,1,4,6-7H2,2-3H3
InChIKeyMUYCQNNXIWWEGB-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.03
Rot. Bonds4

About N,N-diethylbuta-1,3-dien-2-amine

N,N-diethylbuta-1,3-dien-2-amine (PubChem CID 19877877) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,N-diethylbuta-1,3-dien-2-amine.

Molecular Properties

Compound NameN,N-diethylbuta-1,3-dien-2-amine
PubChem CID19877877
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,N-diethylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(CC)CC
InChIInChI=1S/C8H15N/c1-5-8(4)9(6-2)7-3/h5H,1,4,6-7H2,2-3H3
InChIKeyMUYCQNNXIWWEGB-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbuta-1,3-dien-2-amine?
The IUPAC name of N,N-diethylbuta-1,3-dien-2-amine (CID 19877877) is N,N-diethylbuta-1,3-dien-2-amine.
What is the SMILES notation for N,N-diethylbuta-1,3-dien-2-amine?
The canonical SMILES for N,N-diethylbuta-1,3-dien-2-amine is C=CC(=C)N(CC)CC.
What is the InChIKey of N,N-diethylbuta-1,3-dien-2-amine?
The InChIKey is MUYCQNNXIWWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-8(4)9(6-2)7-3/h5H,1,4,6-7H2,2-3H3.
What are the key properties of N,N-diethylbuta-1,3-dien-2-amine?
N,N-diethylbuta-1,3-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbuta-1,3-dien-2-amine is sourced from PubChem (CID 19877877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).