2-[1-(methylaminomethyl)cyclopropyl]acetonitrile

C7H12N2 — CID 65482515

IUPAC2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
SMILESCNCC1(CC#N)CC1
InChIInChI=1S/C7H12N2/c1-9-6-7(2-3-7)4-5-8/h9H,2-4,6H2,1H3
InChIKeyQFRUWYROWKAQHX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds3

About 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile

2-[1-(methylaminomethyl)cyclopropyl]acetonitrile (PubChem CID 65482515) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
PubChem CID65482515
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
SMILESCNCC1(CC#N)CC1
InChIInChI=1S/C7H12N2/c1-9-6-7(2-3-7)4-5-8/h9H,2-4,6H2,1H3
InChIKeyQFRUWYROWKAQHX-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile (CID 65482515) is 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile is CNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile?
The InChIKey is QFRUWYROWKAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-6-7(2-3-7)4-5-8/h9H,2-4,6H2,1H3.
What are the key properties of 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile?
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile has a molecular weight of 124.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylaminomethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65482515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).