ethane;1-(4-methylphenyl)cyclobutan-1-amine

C13H21N — CID 169135941

IUPACethane;1-(4-methylphenyl)cyclobutan-1-amine
SMILESCC.Cc1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C11H15N.C2H6/c1-9-3-5-10(6-4-9)11(12)7-2-8-11;1-2/h3-6H,2,7-8,12H2,1H3;1-2H3
InChIKeyGILJVNCPFRCASO-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds1

About ethane;1-(4-methylphenyl)cyclobutan-1-amine

ethane;1-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 169135941) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)cyclobutan-1-amine
PubChem CID169135941
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;1-(4-methylphenyl)cyclobutan-1-amine
SMILESCC.Cc1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C11H15N.C2H6/c1-9-3-5-10(6-4-9)11(12)7-2-8-11;1-2/h3-6H,2,7-8,12H2,1H3;1-2H3
InChIKeyGILJVNCPFRCASO-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
4-(4-methylphenyl)piperidin-4-amine
CID 70264998
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol
CID 117112880
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
3-amino-3-(4-methylphenyl)cyclobutan-1-one
CID 115014531
3-(4-methylphenyl)oxetan-3-amine;hydrochloride
CID 53257004
1-[4-(1-methylimidazol-2-yl)phenyl]cyclobutan-1-amine
CID 117327419
1-(4-iodophenyl)cyclopentan-1-amine
CID 117047029
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of ethane;1-(4-methylphenyl)cyclobutan-1-amine (CID 169135941) is ethane;1-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for ethane;1-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for ethane;1-(4-methylphenyl)cyclobutan-1-amine is CC.Cc1ccc(C2(N)CCC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is GILJVNCPFRCASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-9-3-5-10(6-4-9)11(12)7-2-8-11;1-2/h3-6H,2,7-8,12H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)cyclobutan-1-amine?
ethane;1-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 169135941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).