N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

C17H23N — CID 55136454

IUPACN-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)c1ccc(CNC2CC3CC=CC32)cc1
InChIInChI=1S/C17H23N/c1-12(2)14-8-6-13(7-9-14)11-18-17-10-15-4-3-5-16(15)17/h3,5-9,12,15-18H,4,10-11H2,1-2H3
InChIKeyLBSSZELSOZKHED-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.86
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 55136454) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID55136454
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)c1ccc(CNC2CC3CC=CC32)cc1
InChIInChI=1S/C17H23N/c1-12(2)14-8-6-13(7-9-14)11-18-17-10-15-4-3-5-16(15)17/h3,5-9,12,15-18H,4,10-11H2,1-2H3
InChIKeyLBSSZELSOZKHED-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939082
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43223906
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 55136454) is N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is CC(C)c1ccc(CNC2CC3CC=CC32)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is LBSSZELSOZKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12(2)14-8-6-13(7-9-14)11-18-17-10-15-4-3-5-16(15)17/h3,5-9,12,15-18H,4,10-11H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 241.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 55136454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).