2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile

C10H12N4 — CID 65492583

IUPAC2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCN(CC#N)CC1(CC#N)CC1
InChIInChI=1S/C10H12N4/c11-4-3-10(1-2-10)9-14(7-5-12)8-6-13/h1-3,7-9H2
InChIKeyGQZXDDAUXLAMIR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds5

About 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65492583) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65492583
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCN(CC#N)CC1(CC#N)CC1
InChIInChI=1S/C10H12N4/c11-4-3-10(1-2-10)9-14(7-5-12)8-6-13/h1-3,7-9H2
InChIKeyGQZXDDAUXLAMIR-UHFFFAOYSA-N
XLogP1.03
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile (CID 65492583) is 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile is N#CCN(CC#N)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is GQZXDDAUXLAMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-4-3-10(1-2-10)9-14(7-5-12)8-6-13/h1-3,7-9H2.
What are the key properties of 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65492583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).