N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine

C17H23ClN2 — CID 117177106

IUPACN-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN2/c1-12(2)20-16(11-19-15-5-3-4-6-15)10-13-9-14(18)7-8-17(13)20/h7-10,12,15,19H,3-6,11H2,1-2H3
InChIKeyNJOCYQKUNRXOOY-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.91
Rot. Bonds4

About N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine

N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine (PubChem CID 117177106) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
PubChem CID117177106
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN2/c1-12(2)20-16(11-19-15-5-3-4-6-15)10-13-9-14(18)7-8-17(13)20/h7-10,12,15,19H,3-6,11H2,1-2H3
InChIKeyNJOCYQKUNRXOOY-UHFFFAOYSA-N
XLogP4.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177103
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
CID 117180534
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
CID 117180869
N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
CID 117183919
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine (CID 117177106) is N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine is CC(C)n1c(CNC2CCCC2)cc2cc(Cl)ccc21.
What is the InChIKey of N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
The InChIKey is NJOCYQKUNRXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-12(2)20-16(11-19-15-5-3-4-6-15)10-13-9-14(18)7-8-17(13)20/h7-10,12,15,19H,3-6,11H2,1-2H3.
What are the key properties of N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine?
N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine has a molecular weight of 290.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117177106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).