N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine

C17H34N2O — CID 114624087

IUPACN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-6-9-18-13-14-7-10-19(11-8-14)15-12-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyAIFYIGZRUDTGAE-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 114624087) 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-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID114624087
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-6-9-18-13-14-7-10-19(11-8-14)15-12-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyAIFYIGZRUDTGAE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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-2-yl]methyl]propan-1-amine
CID 114624100
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
2-[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]ethanamine
CID 79926978
3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 114620933
2-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814212
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-3-yl]methanol
CID 114623860
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
1-(2,2,5,5-tetramethyloxolan-3-yl)azetidin-3-ol
CID 114623874
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine
CID 114624162

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine (CID 114624087) is N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is AIFYIGZRUDTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-9-18-13-14-7-10-19(11-8-14)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-4-yl]methyl]propan-1-amine?
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 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-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114624087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).