3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane

C12H25N — CID 171511357

IUPAC3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
SMILESCC.CC1(C)CC(C#N)C1.CCC
InChIInChI=1S/C7H11N.C3H8.C2H6/c1-7(2)3-6(4-7)5-8;1-3-2;1-2/h6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyIOHYCKVYHTVKSW-UHFFFAOYSA-N
MW183.34 g/mol
LogP4.39
Rot. Bonds

About 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane

3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane (PubChem CID 171511357) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane.

Molecular Properties

Compound Name3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
PubChem CID171511357
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
SMILESCC.CC1(C)CC(C#N)C1.CCC
InChIInChI=1S/C7H11N.C3H8.C2H6/c1-7(2)3-6(4-7)5-8;1-3-2;1-2/h6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyIOHYCKVYHTVKSW-UHFFFAOYSA-N
XLogP4.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
CID 177439553
3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile
CID 162377689
3-(bromomethyl)-3-methoxycyclobutane-1-carbonitrile
CID 12013493
2-ethyl-2-methyloxane-4-carbonitrile
CID 12822947
S-[(3-cyano-1-methylcyclobutyl)methyl] ethanethioate
CID 125471076
3-amino-3-propan-2-ylcyclobutane-1-carbonitrile
CID 176651005
methyl 3-cyano-1-methylcyclobutane-1-carboxylate
CID 173252740
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237
ethane;3-(ethylamino)cyclobutane-1-carbonitrile
CID 171820400
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020276

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?
The IUPAC name of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane (CID 171511357) is 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane.
What is the SMILES notation for 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?
The canonical SMILES for 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane is CC.CC1(C)CC(C#N)C1.CCC.
What is the InChIKey of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?
The InChIKey is IOHYCKVYHTVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C3H8.C2H6/c1-7(2)3-6(4-7)5-8;1-3-2;1-2/h6H,3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane?
3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane has a molecular weight of 183.34 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane is sourced from PubChem (CID 171511357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).