N-[(1-methylindol-2-yl)methyl]cyclobutanamine

C14H18N2 — CID 117173088

IUPACN-[(1-methylindol-2-yl)methyl]cyclobutanamine
SMILESCn1c(CNC2CCC2)cc2ccccc21
InChIInChI=1S/C14H18N2/c1-16-13(10-15-12-6-4-7-12)9-11-5-2-3-8-14(11)16/h2-3,5,8-9,12,15H,4,6-7,10H2,1H3
InChIKeyLORLNIDNCWATJX-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.82
Rot. Bonds3

About N-[(1-methylindol-2-yl)methyl]cyclobutanamine

N-[(1-methylindol-2-yl)methyl]cyclobutanamine (PubChem CID 117173088) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]cyclobutanamine
PubChem CID117173088
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[(1-methylindol-2-yl)methyl]cyclobutanamine
SMILESCn1c(CNC2CCC2)cc2ccccc21
InChIInChI=1S/C14H18N2/c1-16-13(10-15-12-6-4-7-12)9-11-5-2-3-8-14(11)16/h2-3,5,8-9,12,15H,4,6-7,10H2,1H3
InChIKeyLORLNIDNCWATJX-UHFFFAOYSA-N
XLogP2.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
CID 117176588
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
2-[(cyclopentylamino)methyl]-1-methylindol-6-ol
CID 117180034
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
CID 117180033
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
CID 10135726
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 141304489
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
N-[[1-[(2-methyltetrazol-5-yl)methyl]indol-2-yl]methyl]cyclopropanamine
CID 107054615

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]cyclobutanamine (CID 117173088) is N-[(1-methylindol-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]cyclobutanamine is Cn1c(CNC2CCC2)cc2ccccc21.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]cyclobutanamine?
The InChIKey is LORLNIDNCWATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-13(10-15-12-6-4-7-12)9-11-5-2-3-8-14(11)16/h2-3,5,8-9,12,15H,4,6-7,10H2,1H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]cyclobutanamine?
N-[(1-methylindol-2-yl)methyl]cyclobutanamine has a molecular weight of 214.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117173088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).