cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine

C14H18N2 — CID 82277713

IUPACcyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2[nH]cc(C(N)C3CCC3)c2c1
InChIInChI=1S/C14H18N2/c1-9-5-6-13-11(7-9)12(8-16-13)14(15)10-3-2-4-10/h5-8,10,14,16H,2-4,15H2,1H3
InChIKeyNVMDGCSEKPFKHX-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.28
Rot. Bonds2

About cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine

cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine (PubChem CID 82277713) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
PubChem CID82277713
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Namecyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2[nH]cc(C(N)C3CCC3)c2c1
InChIInChI=1S/C14H18N2/c1-9-5-6-13-11(7-9)12(8-16-13)14(15)10-3-2-4-10/h5-8,10,14,16H,2-4,15H2,1H3
InChIKeyNVMDGCSEKPFKHX-UHFFFAOYSA-N
XLogP3.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine 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

(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole
CID 18694425
(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
CID 171246170
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine (CID 82277713) is cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine is Cc1ccc2[nH]cc(C(N)C3CCC3)c2c1.
What is the InChIKey of cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine?
The InChIKey is NVMDGCSEKPFKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-5-6-13-11(7-9)12(8-16-13)14(15)10-3-2-4-10/h5-8,10,14,16H,2-4,15H2,1H3.
What are the key properties of cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine?
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine has a molecular weight of 214.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 82277713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).