N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine

C13H26N2O — CID 79548794

IUPACN-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCC1CCCO1
InChIInChI=1S/C13H26N2O/c1-11(9-12-5-2-3-7-14-12)15-10-13-6-4-8-16-13/h11-15H,2-10H2,1H3
InChIKeyVAVBJEIMVVTUEQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.68
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine

N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine (PubChem CID 79548794) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
PubChem CID79548794
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCC1CCCO1
InChIInChI=1S/C13H26N2O/c1-11(9-12-5-2-3-7-14-12)15-10-13-6-4-8-16-13/h11-15H,2-10H2,1H3
InChIKeyVAVBJEIMVVTUEQ-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-ethyl-N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 113462152
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
N-(oxolan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 43151298
1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
CID 79539978
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 114146569

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine (CID 79548794) is N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
The InChIKey is VAVBJEIMVVTUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(9-12-5-2-3-7-14-12)15-10-13-6-4-8-16-13/h11-15H,2-10H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine?
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79548794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).