N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine

C13H26N2O — CID 106622294

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
SMILESCC(C)N(CC1CCCCN1)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-11(2)15(13-6-8-16-10-13)9-12-5-3-4-7-14-12/h11-14H,3-10H2,1-2H3
InChIKeySPCUXTJYRJPVBD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine

N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine (PubChem CID 106622294) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
PubChem CID106622294
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
SMILESCC(C)N(CC1CCCCN1)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-11(2)15(13-6-8-16-10-13)9-12-5-3-4-7-14-12/h11-14H,3-10H2,1-2H3
InChIKeySPCUXTJYRJPVBD-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine (CID 106622294) is N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine is CC(C)N(CC1CCCCN1)C1CCOC1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine?
The InChIKey is SPCUXTJYRJPVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)15(13-6-8-16-10-13)9-12-5-3-4-7-14-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine?
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine is sourced from PubChem (CID 106622294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).