2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine

C15H30N2O — CID 83198491

IUPAC2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine
SMILESCC1(CNCC(C)(C)C2CCCNC2)CCCO1
InChIInChI=1S/C15H30N2O/c1-14(2,13-6-4-8-16-10-13)11-17-12-15(3)7-5-9-18-15/h13,16-17H,4-12H2,1-3H3
InChIKeyVNURKXOMRSTIGA-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine

2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine (PubChem CID 83198491) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine
PubChem CID83198491
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine
SMILESCC1(CNCC(C)(C)C2CCCNC2)CCCO1
InChIInChI=1S/C15H30N2O/c1-14(2,13-6-4-8-16-10-13)11-17-12-15(3)7-5-9-18-15/h13,16-17H,4-12H2,1-3H3
InChIKeyVNURKXOMRSTIGA-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine (CID 83198491) is 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine is CC1(CNCC(C)(C)C2CCCNC2)CCCO1.
What is the InChIKey of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine?
The InChIKey is VNURKXOMRSTIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,13-6-4-8-16-10-13)11-17-12-15(3)7-5-9-18-15/h13,16-17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine?
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 83198491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).