2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile

C8H14N2 — CID 141214441

IUPAC2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)C1N(C)C
InChIInChI=1S/C8H14N2/c1-6-4-7(5-9)8(6)10(2)3/h6-8H,4H2,1-3H3
InChIKeySCNYGSZRSMOWRK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.10
Rot. Bonds1

About 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile

2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile (PubChem CID 141214441) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile
PubChem CID141214441
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)C1N(C)C
InChIInChI=1S/C8H14N2/c1-6-4-7(5-9)8(6)10(2)3/h6-8H,4H2,1-3H3
InChIKeySCNYGSZRSMOWRK-UHFFFAOYSA-N
XLogP1.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile (CID 141214441) is 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)C1N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile?
The InChIKey is SCNYGSZRSMOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-4-7(5-9)8(6)10(2)3/h6-8H,4H2,1-3H3.
What are the key properties of 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile?
2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 141214441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).