N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine

C14H18N2 — CID 117184532

IUPACN-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
SMILESCc1cccc2[nH]cc(CNC3CCC3)c12
InChIInChI=1S/C14H18N2/c1-10-4-2-7-13-14(10)11(9-16-13)8-15-12-5-3-6-12/h2,4,7,9,12,15-16H,3,5-6,8H2,1H3
InChIKeyQZKNBJKCJSAHCN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.12
Rot. Bonds3

About N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine

N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine (PubChem CID 117184532) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
PubChem CID117184532
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
SMILESCc1cccc2[nH]cc(CNC3CCC3)c12
InChIInChI=1S/C14H18N2/c1-10-4-2-7-13-14(10)11(9-16-13)8-15-12-5-3-6-12/h2,4,7,9,12,15-16H,3,5-6,8H2,1H3
InChIKeyQZKNBJKCJSAHCN-UHFFFAOYSA-N
XLogP3.12
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine 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

3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[[4-(3-bromo-3-methoxypropyl)-1H-indol-3-yl]methyl]cyclopropanamine
CID 67061955
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111100831
3-[(4-bromophenyl)methyl]-4-methyl-1H-indole
CID 118021326
2-[1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119218043
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-4-methyl-1H-indole
CID 163470216

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine (CID 117184532) is N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine is Cc1cccc2[nH]cc(CNC3CCC3)c12.
What is the InChIKey of N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine?
The InChIKey is QZKNBJKCJSAHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-4-2-7-13-14(10)11(9-16-13)8-15-12-5-3-6-12/h2,4,7,9,12,15-16H,3,5-6,8H2,1H3.
What are the key properties of N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine?
N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine has a molecular weight of 214.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117184532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).