1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine

C13H17N — CID 83673853

IUPAC1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine
SMILESCc1ccc(C2(C3(N)CC3)CC2)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12(6-7-12)13(14)8-9-13/h2-5H,6-9,14H2,1H3
InChIKeyLUVJPBNGBSOVAL-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine

1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine (PubChem CID 83673853) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine
PubChem CID83673853
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine
SMILESCc1ccc(C2(C3(N)CC3)CC2)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12(6-7-12)13(14)8-9-13/h2-5H,6-9,14H2,1H3
InChIKeyLUVJPBNGBSOVAL-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine (CID 83673853) is 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine is Cc1ccc(C2(C3(N)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine?
The InChIKey is LUVJPBNGBSOVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12(6-7-12)13(14)8-9-13/h2-5H,6-9,14H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine?
1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)cyclopropyl]cyclopropan-1-amine is sourced from PubChem (CID 83673853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).