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

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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).