N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C15H30N2O — CID 62930834

IUPACN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCN1CCC(C)(C)CC1)C1CCCO1
InChIInChI=1S/C15H30N2O/c1-13(14-5-4-12-18-14)16-8-11-17-9-6-15(2,3)7-10-17/h13-14,16H,4-12H2,1-3H3
InChIKeyMYRGTWIKBBHVRS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62930834) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62930834
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCN1CCC(C)(C)CC1)C1CCCO1
InChIInChI=1S/C15H30N2O/c1-13(14-5-4-12-18-14)16-8-11-17-9-6-15(2,3)7-10-17/h13-14,16H,4-12H2,1-3H3
InChIKeyMYRGTWIKBBHVRS-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 62930834) is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NCCN1CCC(C)(C)CC1)C1CCCO1.
What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is MYRGTWIKBBHVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(14-5-4-12-18-14)16-8-11-17-9-6-15(2,3)7-10-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62930834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).