2-(4-tert-butylphenyl)cyclopropan-1-amine

C13H19N — CID 43810325

IUPAC2-(4-tert-butylphenyl)cyclopropan-1-amine
SMILESCC(C)(C)c1ccc(C2CC2N)cc1
InChIInChI=1S/C13H19N/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12H,8,14H2,1-3H3
InChIKeyHHTUKEMBBCCRHP-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds1

About 2-(4-tert-butylphenyl)cyclopropan-1-amine

2-(4-tert-butylphenyl)cyclopropan-1-amine (PubChem CID 43810325) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)cyclopropan-1-amine
PubChem CID43810325
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-tert-butylphenyl)cyclopropan-1-amine
SMILESCC(C)(C)c1ccc(C2CC2N)cc1
InChIInChI=1S/C13H19N/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12H,8,14H2,1-3H3
InChIKeyHHTUKEMBBCCRHP-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-tert-butylphenyl)cyclopropan-1-amine (CID 43810325) is 2-(4-tert-butylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)cyclopropan-1-amine is CC(C)(C)c1ccc(C2CC2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)cyclopropan-1-amine?
The InChIKey is HHTUKEMBBCCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(11)14/h4-7,11-12H,8,14H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)cyclopropan-1-amine?
2-(4-tert-butylphenyl)cyclopropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 43810325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).