N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine

C10H21N3 — CID 63265346

IUPACN-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
SMILESC=CCN(C)CCN1CCNCC1
InChIInChI=1S/C10H21N3/c1-3-6-12(2)9-10-13-7-4-11-5-8-13/h3,11H,1,4-10H2,2H3
InChIKeyODOOUTKMHYMWIJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.01
Rot. Bonds5

About N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine

N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine (PubChem CID 63265346) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
PubChem CID63265346
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
SMILESC=CCN(C)CCN1CCNCC1
InChIInChI=1S/C10H21N3/c1-3-6-12(2)9-10-13-7-4-11-5-8-13/h3,11H,1,4-10H2,2H3
InChIKeyODOOUTKMHYMWIJ-UHFFFAOYSA-N
XLogP0.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.01
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

N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63266542
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
3-methoxy-N,2-dimethyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 116502154
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
CID 63207778
N-methyl-N-(2-piperidin-4-ylethyl)prop-2-en-1-amine
CID 67726940

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine (CID 63265346) is N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine is C=CCN(C)CCN1CCNCC1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
The InChIKey is ODOOUTKMHYMWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-6-12(2)9-10-13-7-4-11-5-8-13/h3,11H,1,4-10H2,2H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine has a molecular weight of 183.30 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 63265346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).