1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile

C8H14N2 — CID 116958622

IUPAC1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
SMILESCNC(C)C1(C#N)CCC1
InChIInChI=1S/C8H14N2/c1-7(10-2)8(6-9)4-3-5-8/h7,10H,3-5H2,1-2H3
InChIKeyPAADNHMLURCGEC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds2

About 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile

1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile (PubChem CID 116958622) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
PubChem CID116958622
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
SMILESCNC(C)C1(C#N)CCC1
InChIInChI=1S/C8H14N2/c1-7(10-2)8(6-9)4-3-5-8/h7,10H,3-5H2,1-2H3
InChIKeyPAADNHMLURCGEC-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile (CID 116958622) is 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile is CNC(C)C1(C#N)CCC1.
What is the InChIKey of 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
The InChIKey is PAADNHMLURCGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(10-2)8(6-9)4-3-5-8/h7,10H,3-5H2,1-2H3.
What are the key properties of 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile?
1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).