N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine

C15H19ClN2 — CID 117173103

IUPACN-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
SMILESCn1c(CNC2CCCC2)cc2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2/c1-18-12(10-17-11-5-2-3-6-11)9-13-14(16)7-4-8-15(13)18/h4,7-9,11,17H,2-3,5-6,10H2,1H3
InChIKeyLPILYJMAJGOUPY-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.86
Rot. Bonds3

About N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine

N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine (PubChem CID 117173103) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
PubChem CID117173103
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
SMILESCn1c(CNC2CCCC2)cc2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2/c1-18-12(10-17-11-5-2-3-6-11)9-13-14(16)7-4-8-15(13)18/h4,7-9,11,17H,2-3,5-6,10H2,1H3
InChIKeyLPILYJMAJGOUPY-UHFFFAOYSA-N
XLogP3.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
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-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
2-[(cyclobutylamino)methyl]-1-methylindol-5-ol
CID 117176588
N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
CID 100792166

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine (CID 117173103) is N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine is Cn1c(CNC2CCCC2)cc2c(Cl)cccc21.
What is the InChIKey of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine?
The InChIKey is LPILYJMAJGOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-18-12(10-17-11-5-2-3-6-11)9-13-14(16)7-4-8-15(13)18/h4,7-9,11,17H,2-3,5-6,10H2,1H3.
What are the key properties of N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine?
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine has a molecular weight of 262.78 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117173103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).