(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine

C17H24N2O — CID 99958857

IUPAC(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine
SMILESCN(Cc1cccc2cc[nH]c12)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C17H24N2O/c1-17(2)11-15(8-10-20-17)19(3)12-14-6-4-5-13-7-9-18-16(13)14/h4-7,9,15,18H,8,10-12H2,1-3H3/t15-/m1/s1
InChIKeyJQVYUNQVHJGIBP-OAHLLOKOSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds3

About (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine

(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine (PubChem CID 99958857) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine
PubChem CID99958857
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine
SMILESCN(Cc1cccc2cc[nH]c12)[C@@H]1CCOC(C)(C)C1
InChIInChI=1S/C17H24N2O/c1-17(2)11-15(8-10-20-17)19(3)12-14-6-4-5-13-7-9-18-16(13)14/h4-7,9,15,18H,8,10-12H2,1-3H3/t15-/m1/s1
InChIKeyJQVYUNQVHJGIBP-OAHLLOKOSA-N
XLogP3.56
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine?
The IUPAC name of (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine (CID 99958857) is (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine.
What is the SMILES notation for (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine?
The canonical SMILES for (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine is CN(Cc1cccc2cc[nH]c12)[C@@H]1CCOC(C)(C)C1.
What is the InChIKey of (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine?
The InChIKey is JQVYUNQVHJGIBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)11-15(8-10-20-17)19(3)12-14-6-4-5-13-7-9-18-16(13)14/h4-7,9,15,18H,8,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine?
(4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine has a molecular weight of 272.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1H-indol-7-ylmethyl)-N,2,2-trimethyloxan-4-amine is sourced from PubChem (CID 99958857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).