2-cyclopropyl-2-(cyclopropylamino)acetonitrile

C8H12N2 — CID 57495608

IUPAC2-cyclopropyl-2-(cyclopropylamino)acetonitrile
SMILESN#CC(NC1CC1)C1CC1
InChIInChI=1S/C8H12N2/c9-5-8(6-1-2-6)10-7-3-4-7/h6-8,10H,1-4H2
InChIKeyQCVAKMUDEUXRJY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.04
Rot. Bonds3

About 2-cyclopropyl-2-(cyclopropylamino)acetonitrile

2-cyclopropyl-2-(cyclopropylamino)acetonitrile (PubChem CID 57495608) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)acetonitrile
PubChem CID57495608
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)acetonitrile
SMILESN#CC(NC1CC1)C1CC1
InChIInChI=1S/C8H12N2/c9-5-8(6-1-2-6)10-7-3-4-7/h6-8,10H,1-4H2
InChIKeyQCVAKMUDEUXRJY-UHFFFAOYSA-N
XLogP1.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile (CID 57495608) is 2-cyclopropyl-2-(cyclopropylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)acetonitrile is N#CC(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
The InChIKey is QCVAKMUDEUXRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-8(6-1-2-6)10-7-3-4-7/h6-8,10H,1-4H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
2-cyclopropyl-2-(cyclopropylamino)acetonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)acetonitrile is sourced from PubChem (CID 57495608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).