[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine

C15H23N — CID 83705516

IUPAC[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCC(C)c1ccc(C2(CN)CC2(C)C)cc1
InChIInChI=1S/C15H23N/c1-11(2)12-5-7-13(8-6-12)15(10-16)9-14(15,3)4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyOLJGHSPWDBCNKE-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.44
Rot. Bonds3

About [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine

[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine (PubChem CID 83705516) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine
PubChem CID83705516
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine
SMILESCC(C)c1ccc(C2(CN)CC2(C)C)cc1
InChIInChI=1S/C15H23N/c1-11(2)12-5-7-13(8-6-12)15(10-16)9-14(15,3)4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyOLJGHSPWDBCNKE-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine (CID 83705516) is [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine is CC(C)c1ccc(C2(CN)CC2(C)C)cc1.
What is the InChIKey of [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
The InChIKey is OLJGHSPWDBCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)12-5-7-13(8-6-12)15(10-16)9-14(15,3)4/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine?
[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine has a molecular weight of 217.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 83705516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).