N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C18H30N2 — CID 114594233

IUPACN-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CC(C)C(C)N(c2ccccc2CNC(C)C)C1
InChIInChI=1S/C18H30N2/c1-13(2)19-11-17-8-6-7-9-18(17)20-12-14(3)10-15(4)16(20)5/h6-9,13-16,19H,10-12H2,1-5H3
InChIKeyRHZIFWXBHDYETF-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.06
Rot. Bonds4

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

N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 114594233) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID114594233
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CC(C)C(C)N(c2ccccc2CNC(C)C)C1
InChIInChI=1S/C18H30N2/c1-13(2)19-11-17-8-6-7-9-18(17)20-12-14(3)10-15(4)16(20)5/h6-9,13-16,19H,10-12H2,1-5H3
InChIKeyRHZIFWXBHDYETF-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 114594233) is N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CC(C)C(C)N(c2ccccc2CNC(C)C)C1.
What is the InChIKey of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is RHZIFWXBHDYETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)19-11-17-8-6-7-9-18(17)20-12-14(3)10-15(4)16(20)5/h6-9,13-16,19H,10-12H2,1-5H3.
What are the key properties of N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114594233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).