2-[(cyclopentylamino)methyl]-1-methylindol-6-amine

C15H21N3 — CID 117180033

IUPAC2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
SMILESCn1c(CNC2CCCC2)cc2ccc(N)cc21
InChIInChI=1S/C15H21N3/c1-18-14(10-17-13-4-2-3-5-13)8-11-6-7-12(16)9-15(11)18/h6-9,13,17H,2-5,10,16H2,1H3
InChIKeyJUIIGDDZQKFMCU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.79
Rot. Bonds3

About 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine

2-[(cyclopentylamino)methyl]-1-methylindol-6-amine (PubChem CID 117180033) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
PubChem CID117180033
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[(cyclopentylamino)methyl]-1-methylindol-6-amine
SMILESCn1c(CNC2CCCC2)cc2ccc(N)cc21
InChIInChI=1S/C15H21N3/c1-18-14(10-17-13-4-2-3-5-13)8-11-6-7-12(16)9-15(11)18/h6-9,13,17H,2-5,10,16H2,1H3
InChIKeyJUIIGDDZQKFMCU-UHFFFAOYSA-N
XLogP2.79
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.79
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

2-[(cyclopentylamino)methyl]-1-methylindol-6-ol
CID 117180034
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177103
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
CID 117176588
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455
N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
CID 100792166
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
CID 117178816
2-[(4-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180250
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
CID 10135726

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine?
The IUPAC name of 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine (CID 117180033) is 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine is Cn1c(CNC2CCCC2)cc2ccc(N)cc21.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine?
The InChIKey is JUIIGDDZQKFMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-14(10-17-13-4-2-3-5-13)8-11-6-7-12(16)9-15(11)18/h6-9,13,17H,2-5,10,16H2,1H3.
What are the key properties of 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine?
2-[(cyclopentylamino)methyl]-1-methylindol-6-amine has a molecular weight of 243.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-1-methylindol-6-amine is sourced from PubChem (CID 117180033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).