1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine

C18H28N2O — CID 81139908

IUPAC1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H28N2O/c1-13(19)15-9-6-7-11-20(15)16-12-18(2,3)21-17-10-5-4-8-14(16)17/h4-5,8,10,13,15-16H,6-7,9,11-12,19H2,1-3H3
InChIKeyRDSFPFFKNLYGCU-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.49
Rot. Bonds2

About 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine

1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine (PubChem CID 81139908) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine
PubChem CID81139908
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C18H28N2O/c1-13(19)15-9-6-7-11-20(15)16-12-18(2,3)21-17-10-5-4-8-14(16)17/h4-5,8,10,13,15-16H,6-7,9,11-12,19H2,1-3H3
InChIKeyRDSFPFFKNLYGCU-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine (CID 81139908) is 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1C1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine?
The InChIKey is RDSFPFFKNLYGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(19)15-9-6-7-11-20(15)16-12-18(2,3)21-17-10-5-4-8-14(16)17/h4-5,8,10,13,15-16H,6-7,9,11-12,19H2,1-3H3.
What are the key properties of 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine?
1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine has a molecular weight of 288.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 81139908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).