N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

C13H27N3O — CID 55069730

IUPACN-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCN(C)CC2)O1
InChIInChI=1S/C13H27N3O/c1-3-14-10-12-4-5-13(17-12)11-16-8-6-15(2)7-9-16/h12-14H,3-11H2,1-2H3
InChIKeyBIYXDDMXMANTNY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds5

About N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 55069730) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID55069730
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCN(C)CC2)O1
InChIInChI=1S/C13H27N3O/c1-3-14-10-12-4-5-13(17-12)11-16-8-6-15(2)7-9-16/h12-14H,3-11H2,1-2H3
InChIKeyBIYXDDMXMANTNY-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
CID 114413049
N-[[5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62432885
1-[5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62412100
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63620317
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 62435498
N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
CID 55069994
N-[[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62437899
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 55073024
N-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62775547

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (CID 55069730) is N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCN(C)CC2)O1.
What is the InChIKey of N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is BIYXDDMXMANTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-14-10-12-4-5-13(17-12)11-16-8-6-15(2)7-9-16/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55069730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).