trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile

C8H14N2 — CID 94580475

IUPACtrans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
SMILESN#C[C@H]1CCCCC[C@H]1N
InChIInChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h7-8H,1-5,10H2/t7-,8-/m1/s1
InChIKeyAVGTVOQLWAIQOG-HTQZYQBOSA-N
MW138.21 g/mol
LogP1.42
Rot. Bonds

About trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile

trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile (PubChem CID 94580475) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
PubChem CID94580475
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Nametrans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
SMILESN#C[C@H]1CCCCC[C@H]1N
InChIInChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h7-8H,1-5,10H2/t7-,8-/m1/s1
InChIKeyAVGTVOQLWAIQOG-HTQZYQBOSA-N
XLogP1.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile?
The IUPAC name of trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile (CID 94580475) is trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile.
What is the SMILES notation for trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile?
The canonical SMILES for trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile is N#C[C@H]1CCCCC[C@H]1N.
What is the InChIKey of trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile?
The InChIKey is AVGTVOQLWAIQOG-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h7-8H,1-5,10H2/t7-,8-/m1/s1.
What are the key properties of trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile?
trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile is sourced from PubChem (CID 94580475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).