[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine

C17H34N2O — CID 114592631

IUPAC[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine
SMILESCC1CC(C)C(C)N(C2(CN)CCOC(C(C)C)C2)C1
InChIInChI=1S/C17H34N2O/c1-12(2)16-9-17(11-18,6-7-20-16)19-10-13(3)8-14(4)15(19)5/h12-16H,6-11,18H2,1-5H3
InChIKeyRZLYNVCQZFQTIC-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.89
Rot. Bonds3

About [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine

[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine (PubChem CID 114592631) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine
PubChem CID114592631
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine
SMILESCC1CC(C)C(C)N(C2(CN)CCOC(C(C)C)C2)C1
InChIInChI=1S/C17H34N2O/c1-12(2)16-9-17(11-18,6-7-20-16)19-10-13(3)8-14(4)15(19)5/h12-16H,6-11,18H2,1-5H3
InChIKeyRZLYNVCQZFQTIC-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3,5-trimethylpiperidin-1-yl)cyclobutyl]methanamine
CID 114592541
[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine
CID 114592494
[8-(2,3,5-trimethylpiperidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818269
[4-propyl-1-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592435
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-yloxan-4-yl]methanamine
CID 79938560
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187
[1-(2,5-dimethylmorpholin-4-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753038
[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine
CID 62124065
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine?
The IUPAC name of [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine (CID 114592631) is [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine is CC1CC(C)C(C)N(C2(CN)CCOC(C(C)C)C2)C1.
What is the InChIKey of [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine?
The InChIKey is RZLYNVCQZFQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)16-9-17(11-18,6-7-20-16)19-10-13(3)8-14(4)15(19)5/h12-16H,6-11,18H2,1-5H3.
What are the key properties of [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine?
[2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-4-(2,3,5-trimethylpiperidin-1-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 114592631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).