3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine

C15H21N3 — CID 117178816

IUPAC3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
SMILESCCn1cc(CNC2CCC2)c2ccc(N)cc21
InChIInChI=1S/C15H21N3/c1-2-18-10-11(9-17-13-4-3-5-13)14-7-6-12(16)8-15(14)18/h6-8,10,13,17H,2-5,9,16H2,1H3
InChIKeyZKHSMVCJJLTVTR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.89
Rot. Bonds4

About 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine

3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine (PubChem CID 117178816) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine.

Molecular Properties

Compound Name3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
PubChem CID117178816
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
SMILESCCn1cc(CNC2CCC2)c2ccc(N)cc21
InChIInChI=1S/C15H21N3/c1-2-18-10-11(9-17-13-4-3-5-13)14-7-6-12(16)8-15(14)18/h6-8,10,13,17H,2-5,9,16H2,1H3
InChIKeyZKHSMVCJJLTVTR-UHFFFAOYSA-N
XLogP2.89
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol
CID 117171699
3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
CID 117171709
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
3-[(cyclobutylamino)methyl]-1H-indol-5-amine
CID 117174943
N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 106930200
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
CID 117180033
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 66401135

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine?
The IUPAC name of 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine (CID 117178816) is 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine.
What is the SMILES notation for 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine?
The canonical SMILES for 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine is CCn1cc(CNC2CCC2)c2ccc(N)cc21.
What is the InChIKey of 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine?
The InChIKey is ZKHSMVCJJLTVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-18-10-11(9-17-13-4-3-5-13)14-7-6-12(16)8-15(14)18/h6-8,10,13,17H,2-5,9,16H2,1H3.
What are the key properties of 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine?
3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine has a molecular weight of 243.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine is sourced from PubChem (CID 117178816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).