N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine

C16H24N2 — CID 114547451

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCC2CNc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-16(2)8-7-13(9-16)17-10-12-11-18-15-6-4-3-5-14(12)15/h3-6,12-13,17-18H,7-11H2,1-2H3
InChIKeyRGJSACBJKWLZOD-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.36
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 114547451) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID114547451
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCC2CNc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-16(2)8-7-13(9-16)17-10-12-11-18-15-6-4-3-5-14(12)15/h3-6,12-13,17-18H,7-11H2,1-2H3
InChIKeyRGJSACBJKWLZOD-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine (CID 114547451) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCC2CNc3ccccc32)C1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is RGJSACBJKWLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2)8-7-13(9-16)17-10-12-11-18-15-6-4-3-5-14(12)15/h3-6,12-13,17-18H,7-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114547451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).