N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine

C18H25N — CID 43783255

IUPACN-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)(C)C(NC1CC2CC=CC21)c1ccccc1
InChIInChI=1S/C18H25N/c1-18(2,3)17(13-8-5-4-6-9-13)19-16-12-14-10-7-11-15(14)16/h4-9,11,14-17,19H,10,12H2,1-3H3
InChIKeyXXVQFKLSSXWBOQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.33
Rot. Bonds3

About N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43783255) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43783255
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)(C)C(NC1CC2CC=CC21)c1ccccc1
InChIInChI=1S/C18H25N/c1-18(2,3)17(13-8-5-4-6-9-13)19-16-12-14-10-7-11-15(14)16/h4-9,11,14-17,19H,10,12H2,1-3H3
InChIKeyXXVQFKLSSXWBOQ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43783255) is N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine is CC(C)(C)C(NC1CC2CC=CC21)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is XXVQFKLSSXWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-18(2,3)17(13-8-5-4-6-9-13)19-16-12-14-10-7-11-15(14)16/h4-9,11,14-17,19H,10,12H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 255.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43783255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).