N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

C17H21N — CID 43233472

IUPACN-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H21N/c1-2-5-12(6-3-1)17(13-9-10-13)18-16-11-14-7-4-8-15(14)16/h1-6,8,13-18H,7,9-11H2
InChIKeyIEMOGYMBMFGDPM-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.69
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43233472) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43233472
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H21N/c1-2-5-12(6-3-1)17(13-9-10-13)18-16-11-14-7-4-8-15(14)16/h1-6,8,13-18H,7,9-11H2
InChIKeyIEMOGYMBMFGDPM-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.69
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

2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
CID 62108990
N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43783255
N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81371686
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81388211
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81348288
N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81402601
N-[1-(4-tert-butylphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43779215
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43724333
N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776484
[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
CID 106359819
N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
CID 64500445

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43233472) is N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is IEMOGYMBMFGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-5-12(6-3-1)17(13-9-10-13)18-16-11-14-7-4-8-15(14)16/h1-6,8,13-18H,7,9-11H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 239.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43233472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).