N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine

C16H24N2 — CID 114547417

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C16H24N2/c1-16(2)6-5-15(8-16)18-9-12-3-4-13-10-17-11-14(13)7-12/h3-4,7,15,17-18H,5-6,8-11H2,1-2H3
InChIKeyWRSADQGFGGYGSN-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.96
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 114547417) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID114547417
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccc3c(c2)CNC3)C1
InChIInChI=1S/C16H24N2/c1-16(2)6-5-15(8-16)18-9-12-3-4-13-10-17-11-14(13)7-12/h3-4,7,15,17-18H,5-6,8-11H2,1-2H3
InChIKeyWRSADQGFGGYGSN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine (CID 114547417) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCc2ccc3c(c2)CNC3)C1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is WRSADQGFGGYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2)6-5-15(8-16)18-9-12-3-4-13-10-17-11-14(13)7-12/h3-4,7,15,17-18H,5-6,8-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.96, 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-isoindol-5-ylmethyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114547417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).