N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine

C18H26N2 — CID 96679083

IUPACN-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
SMILESCc1ccc2c(CCNC3CCCC3)c(C)[nH]c2c1C
InChIInChI=1S/C18H26N2/c1-12-8-9-17-16(14(3)20-18(17)13(12)2)10-11-19-15-6-4-5-7-15/h8-9,15,19-20H,4-7,10-11H2,1-3H3
InChIKeyMXABDJOUOYILOE-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.17
Rot. Bonds4

About N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine

N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine (PubChem CID 96679083) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
PubChem CID96679083
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
SMILESCc1ccc2c(CCNC3CCCC3)c(C)[nH]c2c1C
InChIInChI=1S/C18H26N2/c1-12-8-9-17-16(14(3)20-18(17)13(12)2)10-11-19-15-6-4-5-7-15/h8-9,15,19-20H,4-7,10-11H2,1-3H3
InChIKeyMXABDJOUOYILOE-UHFFFAOYSA-N
XLogP4.17
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82495253
N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine
CID 84625621
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 96679064
3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
CID 23960236
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 84622010
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine (CID 96679083) is N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine is Cc1ccc2c(CCNC3CCCC3)c(C)[nH]c2c1C.
What is the InChIKey of N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine?
The InChIKey is MXABDJOUOYILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12-8-9-17-16(14(3)20-18(17)13(12)2)10-11-19-15-6-4-5-7-15/h8-9,15,19-20H,4-7,10-11H2,1-3H3.
What are the key properties of N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine?
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine has a molecular weight of 270.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 96679083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).