N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine

C14H18N2O — CID 82725136

IUPACN-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCc1cccc2[nH]ccc12
InChIInChI=1S/C14H18N2O/c1-10-13(6-8-17-10)16-9-11-3-2-4-14-12(11)5-7-15-14/h2-5,7,10,13,15-16H,6,8-9H2,1H3
InChIKeyDXPBCXOIPDBQBK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.43
Rot. Bonds3

About N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine

N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine (PubChem CID 82725136) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
PubChem CID82725136
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCc1cccc2[nH]ccc12
InChIInChI=1S/C14H18N2O/c1-10-13(6-8-17-10)16-9-11-3-2-4-14-12(11)5-7-15-14/h2-5,7,10,13,15-16H,6,8-9H2,1H3
InChIKeyDXPBCXOIPDBQBK-UHFFFAOYSA-N
XLogP2.43
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-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 N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine (CID 82725136) is N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine is CC1OCCC1NCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine?
The InChIKey is DXPBCXOIPDBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-13(6-8-17-10)16-9-11-3-2-4-14-12(11)5-7-15-14/h2-5,7,10,13,15-16H,6,8-9H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine?
N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82725136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).