3-(1-amino-9H-fluoren-2-yl)propanenitrile

C16H14N2 — CID 152647323

IUPAC3-(1-amino-9H-fluoren-2-yl)propanenitrile
SMILESN#CCCc1ccc2c(c1N)Cc1ccccc1-2
InChIInChI=1S/C16H14N2/c17-9-3-5-11-7-8-14-13-6-2-1-4-12(13)10-15(14)16(11)18/h1-2,4,6-8H,3,5,10,18H2
InChIKeyZGVAWPJQPDIJKT-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.30
Rot. Bonds2

About 3-(1-amino-9H-fluoren-2-yl)propanenitrile

3-(1-amino-9H-fluoren-2-yl)propanenitrile (PubChem CID 152647323) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(1-amino-9H-fluoren-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-amino-9H-fluoren-2-yl)propanenitrile
PubChem CID152647323
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-(1-amino-9H-fluoren-2-yl)propanenitrile
SMILESN#CCCc1ccc2c(c1N)Cc1ccccc1-2
InChIInChI=1S/C16H14N2/c17-9-3-5-11-7-8-14-13-6-2-1-4-12(13)10-15(14)16(11)18/h1-2,4,6-8H,3,5,10,18H2
InChIKeyZGVAWPJQPDIJKT-UHFFFAOYSA-N
XLogP3.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)ethyl]-9H-fluoren-1-amine
CID 151484555
2-chloro-9H-fluoren-1-amine
CID 150811433
1-chloro-2-[2-(1-chloro-9H-fluoren-2-yl)ethyl]-9H-fluorene;titanium
CID 87867259
1-(1-amino-9H-fluoren-2-yl)ethanone
CID 67094214
(2-amino-9H-fluoren-1-yl)methanol
CID 67611145
2,3-dibutyl-9H-fluoren-1-amine
CID 151540812
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
3-(9H-fluoren-1-yl)benzene-1,2-diamine
CID 66643080
1,2-diethyl-9H-fluorene
CID 23440471
2-(9H-fluoren-1-yl)acetamide
CID 22939017
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-9H-fluoren-2-yl)propanenitrile?
The IUPAC name of 3-(1-amino-9H-fluoren-2-yl)propanenitrile (CID 152647323) is 3-(1-amino-9H-fluoren-2-yl)propanenitrile.
What is the SMILES notation for 3-(1-amino-9H-fluoren-2-yl)propanenitrile?
The canonical SMILES for 3-(1-amino-9H-fluoren-2-yl)propanenitrile is N#CCCc1ccc2c(c1N)Cc1ccccc1-2.
What is the InChIKey of 3-(1-amino-9H-fluoren-2-yl)propanenitrile?
The InChIKey is ZGVAWPJQPDIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-9-3-5-11-7-8-14-13-6-2-1-4-12(13)10-15(14)16(11)18/h1-2,4,6-8H,3,5,10,18H2.
What are the key properties of 3-(1-amino-9H-fluoren-2-yl)propanenitrile?
3-(1-amino-9H-fluoren-2-yl)propanenitrile has a molecular weight of 234.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-9H-fluoren-2-yl)propanenitrile is sourced from PubChem (CID 152647323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).