N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine

C17H25N — CID 79592331

IUPACN-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(C=CCCNC2CC2)cc1
InChIInChI=1S/C17H25N/c1-17(2,3)15-9-7-14(8-10-15)6-4-5-13-18-16-11-12-16/h4,6-10,16,18H,5,11-13H2,1-3H3
InChIKeyIEMYZOZWSQUHDC-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine

N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine (PubChem CID 79592331) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
PubChem CID79592331
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(C=CCCNC2CC2)cc1
InChIInChI=1S/C17H25N/c1-17(2,3)15-9-7-14(8-10-15)6-4-5-13-18-16-11-12-16/h4,6-10,16,18H,5,11-13H2,1-3H3
InChIKeyIEMYZOZWSQUHDC-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine (CID 79592331) is N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine is CC(C)(C)c1ccc(C=CCCNC2CC2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine?
The InChIKey is IEMYZOZWSQUHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-17(2,3)15-9-7-14(8-10-15)6-4-5-13-18-16-11-12-16/h4,6-10,16,18H,5,11-13H2,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine?
N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine has a molecular weight of 243.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine is sourced from PubChem (CID 79592331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).