N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

C14H28N2O — CID 82836463

IUPACN-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCC2CCC(C)O2)CC1
InChIInChI=1S/C14H28N2O/c1-12-5-8-16(9-6-12)10-7-15-11-14-4-3-13(2)17-14/h12-15H,3-11H2,1-2H3
InChIKeyKBEDWLPIGKRUKP-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 82836463) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID82836463
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCC2CCC(C)O2)CC1
InChIInChI=1S/C14H28N2O/c1-12-5-8-16(9-6-12)10-7-15-11-14-4-3-13(2)17-14/h12-15H,3-11H2,1-2H3
InChIKeyKBEDWLPIGKRUKP-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
2-ethoxy-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833976
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113411276
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
3-(2,3-dihydroindol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82833789
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
CID 106333857
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759084
2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
CID 83212137

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (CID 82836463) is N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCC2CCC(C)O2)CC1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is KBEDWLPIGKRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-5-8-16(9-6-12)10-7-15-11-14-4-3-13(2)17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 82836463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).