2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile

C14H19N3 — CID 83212476

IUPAC2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cc3c(c2)C(N)CCC3)CC1
InChIInChI=1S/C14H19N3/c15-7-6-14(4-5-14)10-17-8-11-2-1-3-13(16)12(11)9-17/h8-9,13H,1-6,10,16H2
InChIKeyIDUFRFKXCFMBCB-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 83212476) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile
PubChem CID83212476
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cc3c(c2)C(N)CCC3)CC1
InChIInChI=1S/C14H19N3/c15-7-6-14(4-5-14)10-17-8-11-2-1-3-13(16)12(11)9-17/h8-9,13H,1-6,10,16H2
InChIKeyIDUFRFKXCFMBCB-UHFFFAOYSA-N
XLogP2.52
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile (CID 83212476) is 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2cc3c(c2)C(N)CCC3)CC1.
What is the InChIKey of 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is IDUFRFKXCFMBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-7-6-14(4-5-14)10-17-8-11-2-1-3-13(16)12(11)9-17/h8-9,13H,1-6,10,16H2.
What are the key properties of 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-4,5,6,7-tetrahydroisoindol-2-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 83212476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).