2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine

C18H38N4O2 — CID 156795387

IUPAC2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
SMILESC=CC(C)CNCCOCCN1CCN(CCOCCNC)CC1
InChIInChI=1S/C18H38N4O2/c1-4-18(2)17-20-6-14-24-16-12-22-9-7-21(8-10-22)11-15-23-13-5-19-3/h4,18-20H,1,5-17H2,2-3H3
InChIKeyTYKSUYPYMUUYMA-UHFFFAOYSA-N
MW342.53 g/mol
LogP0.27
Rot. Bonds15

About 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine

2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine (PubChem CID 156795387) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
PubChem CID156795387
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine
SMILESC=CC(C)CNCCOCCN1CCN(CCOCCNC)CC1
InChIInChI=1S/C18H38N4O2/c1-4-18(2)17-20-6-14-24-16-12-22-9-7-21(8-10-22)11-15-23-13-5-19-3/h4,18-20H,1,5-17H2,2-3H3
InChIKeyTYKSUYPYMUUYMA-UHFFFAOYSA-N
XLogP0.27
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
CID 144855148
N-[2-[2-[4-[2-[2-(ethylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148766148
N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
CID 156795516
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine
CID 157048775
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 163400181
2-methyl-N-[2-[2-[4-[2-[2-(propylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 166461322
1-[2-[2-[2-[2-[2-(2-But-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 170143200
N-(1-morpholin-4-ylpropan-2-yl)but-3-en-1-amine
CID 64313973
N-(2-morpholin-4-ylethyl)but-3-en-1-amine
CID 64316702
N-(2-but-3-enoxyethyl)-2-morpholin-4-ylethanamine
CID 106401993
1-(2-But-3-enoxyethyl)-2,5,5-trimethylpiperazine
CID 106409043
1-(2-But-3-enoxyethyl)-2-propan-2-ylpiperazine
CID 106409067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine (CID 156795387) is 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine is C=CC(C)CNCCOCCN1CCN(CCOCCNC)CC1.
What is the InChIKey of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine?
The InChIKey is TYKSUYPYMUUYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-4-18(2)17-20-6-14-24-16-12-22-9-7-21(8-10-22)11-15-23-13-5-19-3/h4,18-20H,1,5-17H2,2-3H3.
What are the key properties of 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine?
2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine has a molecular weight of 342.53 g/mol, XLogP of 0.27, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]but-3-en-1-amine is sourced from PubChem (CID 156795387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).