N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine

C16H32N2O — CID 116522163

IUPACN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)17-11-14-6-9-18(10-7-14)12-15-5-8-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3
InChIKeyCPOQFKYAFXUJEC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds5

About N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 116522163) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID116522163
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)17-11-14-6-9-18(10-7-14)12-15-5-8-16(3,4)19-15/h13-15,17H,5-12H2,1-4H3
InChIKeyCPOQFKYAFXUJEC-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

Analyze N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 116524057
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine (CID 116522163) is N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CC2CCC(C)(C)O2)CC1.
What is the InChIKey of N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is CPOQFKYAFXUJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)17-11-14-6-9-18(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-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]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-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116522163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).