N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine

C15H20N2O — CID 113346334

IUPACN-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine
SMILESCC1CC(NCc2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C15H20N2O/c1-11-9-13(6-8-18-11)17-10-12-3-2-4-15-14(12)5-7-16-15/h2-5,7,11,13,16-17H,6,8-10H2,1H3
InChIKeyLSEKFLKTPXWMIB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.83
Rot. Bonds3

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

N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine (PubChem CID 113346334) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine
PubChem CID113346334
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine
SMILESCC1CC(NCc2cccc3[nH]ccc23)CCO1
InChIInChI=1S/C15H20N2O/c1-11-9-13(6-8-18-11)17-10-12-3-2-4-15-14(12)5-7-16-15/h2-5,7,11,13,16-17H,6,8-10H2,1H3
InChIKeyLSEKFLKTPXWMIB-UHFFFAOYSA-N
XLogP2.83
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-4-ylmethyl)-2-methyloxan-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

Related Compounds

N-(1H-indol-4-ylmethyl)-2-methyloxolan-3-amine
CID 82725136
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
N-(1H-indol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 62999891
3-chloro-2-[[(2-methyloxan-4-yl)amino]methyl]phenol
CID 113346316
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976373
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
furan-2-yl-[4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 119109935
2-(2,6-dimethylmorpholin-4-yl)-N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 119109871
N-(1H-indol-4-ylmethyl)-1-[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510800
1,3-dimethyl-5-[[(2-methyloxan-4-yl)amino]methyl]pyrimidine-2,4-dione
CID 103887824

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine (CID 113346334) is N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine is CC1CC(NCc2cccc3[nH]ccc23)CCO1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine?
The InChIKey is LSEKFLKTPXWMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-9-13(6-8-18-11)17-10-12-3-2-4-15-14(12)5-7-16-15/h2-5,7,11,13,16-17H,6,8-10H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine?
N-(1H-indol-4-ylmethyl)-2-methyloxan-4-amine has a molecular weight of 244.34 g/mol, XLogP of 2.83, 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-methyloxan-4-amine is sourced from PubChem (CID 113346334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).