1-(oxolan-3-ylmethyl)indol-7-amine

C13H16N2O — CID 114935808

IUPAC1-(oxolan-3-ylmethyl)indol-7-amine
SMILESNc1cccc2ccn(CC3CCOC3)c12
InChIInChI=1S/C13H16N2O/c14-12-3-1-2-11-4-6-15(13(11)12)8-10-5-7-16-9-10/h1-4,6,10H,5,7-9,14H2
InChIKeyARXNXZHBEASSSK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.26
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)indol-7-amine

1-(oxolan-3-ylmethyl)indol-7-amine (PubChem CID 114935808) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)indol-7-amine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)indol-7-amine
PubChem CID114935808
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(oxolan-3-ylmethyl)indol-7-amine
SMILESNc1cccc2ccn(CC3CCOC3)c12
InChIInChI=1S/C13H16N2O/c14-12-3-1-2-11-4-6-15(13(11)12)8-10-5-7-16-9-10/h1-4,6,10H,5,7-9,14H2
InChIKeyARXNXZHBEASSSK-UHFFFAOYSA-N
XLogP2.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(oxolan-3-ylmethyl)indol-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclopentylmethyl)indol-7-amine
CID 114935809
1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
CID 114935740
2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 62822959
2-methyl-3-[1-(oxan-4-ylmethyl)indol-7-yl]propanoic acid
CID 115106617
1-[1-(cyclopropylmethyl)indol-7-yl]ethanamine
CID 115106526
2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
CID 115106599
4-(oxolan-3-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 66559053
2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
CID 121208404
1-[1-(cyclopropylmethyl)indol-7-yl]ethanone
CID 115106582
3-(oxolan-3-ylmethyl)imidazo[1,5-a]pyridin-8-amine
CID 117146311
1-(3-chlorophenyl)-4-(oxolan-3-ylmethyl)pyrazine-2,3-dione
CID 163358266
1-(2-propoxyethyl)indol-7-amine
CID 106452734

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)indol-7-amine?
The IUPAC name of 1-(oxolan-3-ylmethyl)indol-7-amine (CID 114935808) is 1-(oxolan-3-ylmethyl)indol-7-amine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)indol-7-amine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)indol-7-amine is Nc1cccc2ccn(CC3CCOC3)c12.
What is the InChIKey of 1-(oxolan-3-ylmethyl)indol-7-amine?
The InChIKey is ARXNXZHBEASSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-12-3-1-2-11-4-6-15(13(11)12)8-10-5-7-16-9-10/h1-4,6,10H,5,7-9,14H2.
What are the key properties of 1-(oxolan-3-ylmethyl)indol-7-amine?
1-(oxolan-3-ylmethyl)indol-7-amine has a molecular weight of 216.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)indol-7-amine is sourced from PubChem (CID 114935808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).