2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine

C12H25N3 — CID 103070608

IUPAC2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CCN(C)C(C)C1
InChIInChI=1S/C12H25N3/c1-5-13-8-11(2)9-15-7-6-14(4)12(3)10-15/h12-13H,2,5-10H2,1,3-4H3
InChIKeyIFEVLWXEDYZIPI-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.79
Rot. Bonds5

About 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine

2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103070608) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103070608
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CCN(C)C(C)C1
InChIInChI=1S/C12H25N3/c1-5-13-8-11(2)9-15-7-6-14(4)12(3)10-15/h12-13H,2,5-10H2,1,3-4H3
InChIKeyIFEVLWXEDYZIPI-UHFFFAOYSA-N
XLogP0.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070868
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate
CID 107877646
2-[2-(ethylaminomethyl)prop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103071078
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
1-[4-[2-(ethylaminomethyl)prop-2-enyl]-1,4-diazepan-1-yl]ethanone
CID 103070091
2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103071209
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine (CID 103070608) is 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)CN1CCN(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is IFEVLWXEDYZIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-13-8-11(2)9-15-7-6-14(4)12(3)10-15/h12-13H,2,5-10H2,1,3-4H3.
What are the key properties of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103070608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).