1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine

C14H28N4 — CID 66668702

IUPAC1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine
SMILESC=CC(C1CNCCN1C(C=C)N(C)C)N(C)C
InChIInChI=1S/C14H28N4/c1-7-12(16(3)4)13-11-15-9-10-18(13)14(8-2)17(5)6/h7-8,12-15H,1-2,9-11H2,3-6H3
InChIKeyJNGUJOZNGMFCDB-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.45
Rot. Bonds6

About 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine

1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine (PubChem CID 66668702) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine
PubChem CID66668702
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine
SMILESC=CC(C1CNCCN1C(C=C)N(C)C)N(C)C
InChIInChI=1S/C14H28N4/c1-7-12(16(3)4)13-11-15-9-10-18(13)14(8-2)17(5)6/h7-8,12-15H,1-2,9-11H2,3-6H3
InChIKeyJNGUJOZNGMFCDB-UHFFFAOYSA-N
XLogP0.45
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine (CID 66668702) is 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine is C=CC(C1CNCCN1C(C=C)N(C)C)N(C)C.
What is the InChIKey of 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine?
The InChIKey is JNGUJOZNGMFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-12(16(3)4)13-11-15-9-10-18(13)14(8-2)17(5)6/h7-8,12-15H,1-2,9-11H2,3-6H3.
What are the key properties of 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine?
1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine has a molecular weight of 252.41 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(dimethylamino)prop-2-enyl]piperazin-2-yl]-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 66668702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).