N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

C16H32N2O — CID 116522909

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)CC1CCC(C)(C)O1
InChIInChI=1S/C16H32N2O/c1-13(2)18(11-14-6-9-17-10-7-14)12-15-5-8-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3
InChIKeyMYTKFCYAXDGIBF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 116522909) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID116522909
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)CC1CCC(C)(C)O1
InChIInChI=1S/C16H32N2O/c1-13(2)18(11-14-6-9-17-10-7-14)12-15-5-8-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3
InChIKeyMYTKFCYAXDGIBF-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 116522907
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614880
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 116520932
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
N-(oxan-3-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79716147
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 116522873

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 116522909) is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(CC1CCNCC1)CC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is MYTKFCYAXDGIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)18(11-14-6-9-17-10-7-14)12-15-5-8-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 116522909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).