1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile

C9H16N2 — CID 130766360

IUPAC1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile
SMILESCN(C)C1(C#N)CC(C)(C)C1
InChIInChI=1S/C9H16N2/c1-8(2)5-9(6-8,7-10)11(3)4/h5-6H2,1-4H3
InChIKeyXPGPALNFZSYGIZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds1

About 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile

1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile (PubChem CID 130766360) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile
PubChem CID130766360
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile
SMILESCN(C)C1(C#N)CC(C)(C)C1
InChIInChI=1S/C9H16N2/c1-8(2)5-9(6-8,7-10)11(3)4/h5-6H2,1-4H3
InChIKeyXPGPALNFZSYGIZ-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile (CID 130766360) is 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile is CN(C)C1(C#N)CC(C)(C)C1.
What is the InChIKey of 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile?
The InChIKey is XPGPALNFZSYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)5-9(6-8,7-10)11(3)4/h5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile?
1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3,3-dimethylcyclobutane-1-carbonitrile is sourced from PubChem (CID 130766360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).