1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile

C16H21N3 — CID 79573697

IUPAC1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCN1Cc2ccccc2C1
InChIInChI=1S/C16H21N3/c17-12-16(18)8-3-6-15(16)7-9-19-10-13-4-1-2-5-14(13)11-19/h1-2,4-5,15H,3,6-11,18H2
InChIKeyUWYLOFHWOOJPHX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.41
Rot. Bonds3

About 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79573697) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79573697
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCN1Cc2ccccc2C1
InChIInChI=1S/C16H21N3/c17-12-16(18)8-3-6-15(16)7-9-19-10-13-4-1-2-5-14(13)11-19/h1-2,4-5,15H,3,6-11,18H2
InChIKeyUWYLOFHWOOJPHX-UHFFFAOYSA-N
XLogP2.41
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile (CID 79573697) is 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCN1Cc2ccccc2C1.
What is the InChIKey of 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is UWYLOFHWOOJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-12-16(18)8-3-6-15(16)7-9-19-10-13-4-1-2-5-14(13)11-19/h1-2,4-5,15H,3,6-11,18H2.
What are the key properties of 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).