N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine

C17H34N2O — CID 114624100

IUPACN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O/c1-6-10-18-13-14-9-7-8-11-19(14)15-12-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyYFRQFJFEAALXJP-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds5

About N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 114624100) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID114624100
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O/c1-6-10-18-13-14-9-7-8-11-19(14)15-12-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyYFRQFJFEAALXJP-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
CID 114624087
1-[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]ethanamine
CID 79927087
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 114620933
N-[[2-(2-propylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 83061780
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine (CID 114624100) is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is YFRQFJFEAALXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-10-18-13-14-9-7-8-11-19(14)15-12-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114624100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).