8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine

C16H21NO — CID 91233442

IUPAC8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine
SMILESCONC1=CC2CCC(C1)C2Cc1ccccc1
InChIInChI=1S/C16H21NO/c1-18-17-15-10-13-7-8-14(11-15)16(13)9-12-5-3-2-4-6-12/h2-6,10,13-14,16-17H,7-9,11H2,1H3
InChIKeyCPZBBRRHEZMRNQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.31
Rot. Bonds4

About 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine

8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine (PubChem CID 91233442) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine.

Molecular Properties

Compound Name8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine
PubChem CID91233442
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine
SMILESCONC1=CC2CCC(C1)C2Cc1ccccc1
InChIInChI=1S/C16H21NO/c1-18-17-15-10-13-7-8-14(11-15)16(13)9-12-5-3-2-4-6-12/h2-6,10,13-14,16-17H,7-9,11H2,1H3
InChIKeyCPZBBRRHEZMRNQ-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4,4-Diphenylbutyl)-2,5-dihydro-1,2-oxazole
CID 57185312
N-methoxy-1H-inden-2-amine
CID 91075620
4-(3-tert-butylphenyl)-N-ethoxycyclohexen-1-amine
CID 91120317
4-(3-tert-butylphenyl)-N-methoxycyclohexen-1-amine
CID 91165288
1,9,9-Trimethyl-1,9a-dihydrofluoren-2-amine
CID 137507079
N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine
CID 142052331
3-(4-But-1-en-2-ylcyclohepta-1,3,5-trien-1-yl)-4-phenylbut-1-en-2-amine;ethane
CID 143344240
4-[Cyclohexa-1,5-dien-1-yl(phenyl)methyl]penta-1,4-dien-2-amine
CID 144639240
N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine
CID 145487482
N-butoxy-6-[4-(4-methylphenyl)phenyl]hex-1-en-2-amine
CID 158042843
(Z)-1-(4-methylcyclohex-2-en-1-yl)-3-phenylpent-1-en-1-amine
CID 166819895
6-Benzyl-5-methylcyclohexa-1,3-dien-1-amine
CID 170122848

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine?
The IUPAC name of 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine (CID 91233442) is 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine.
What is the SMILES notation for 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine?
The canonical SMILES for 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine is CONC1=CC2CCC(C1)C2Cc1ccccc1.
What is the InChIKey of 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine?
The InChIKey is CPZBBRRHEZMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-18-17-15-10-13-7-8-14(11-15)16(13)9-12-5-3-2-4-6-12/h2-6,10,13-14,16-17H,7-9,11H2,1H3.
What are the key properties of 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine?
8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-methoxybicyclo[3.2.1]oct-2-en-3-amine is sourced from PubChem (CID 91233442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).