N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine

C13H27N3O — CID 114184087

IUPACN-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESC=CCCOCCNCCN1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-4-12-17-13-6-14-5-7-16-10-8-15(2)9-11-16/h3,14H,1,4-13H2,2H3
InChIKeyKIIGSSZLFFBKCV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.42
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine

N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 114184087) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID114184087
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESC=CCCOCCNCCN1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-4-12-17-13-6-14-5-7-16-10-8-15(2)9-11-16/h3,14H,1,4-13H2,2H3
InChIKeyKIIGSSZLFFBKCV-UHFFFAOYSA-N
XLogP0.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-2-Propen-1-yl-4-morpholineethanamine
CID 28563520
4-But-3-enylmorpholin-4-ium
CID 40521366
N-(2-morpholin-4-ylethyl)prop-1-en-1-amine
CID 57636132
N-(3-morpholin-4-ylpropyl)pent-4-en-1-amine
CID 64316038
N-(2-morpholin-4-ylethyl)pent-4-en-1-amine
CID 64316703
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
CID 68543856
1-(2-Prop-2-enoxyethyl)piperazine
CID 82353022
(Z)-4-methoxy-3-N-methyl-4-[(3S)-3-methylmorpholin-4-yl]but-1-ene-1,3-diamine
CID 130180452
ethene;N-methyl-2-morpholin-4-ylethanamine
CID 141907256
N-methyl-2-morpholin-4-ylethanamine;prop-1-ene
CID 142873123
N'-but-3-enyl-N-[2-(4-methoxybutoxy)ethyl]-N'-methylethane-1,2-diamine
CID 154992765
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
CID 156795387

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 114184087) is N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine is C=CCCOCCNCCN1CCN(C)CC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is KIIGSSZLFFBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-4-12-17-13-6-14-5-7-16-10-8-15(2)9-11-16/h3,14H,1,4-13H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114184087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).