8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine

C17H24N2 — CID 118993423

IUPAC8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCNC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H24N2/c1-2-10-18-15-11-16-8-9-17(12-15)19(16)13-14-6-4-3-5-7-14/h2-7,15-18H,1,8-13H2
InChIKeyGNRGSHHPSHTUCV-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds5

About 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine

8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 118993423) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID118993423
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCNC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H24N2/c1-2-10-18-15-11-16-8-9-17(12-15)19(16)13-14-6-4-3-5-7-14/h2-7,15-18H,1,8-13H2
InChIKeyGNRGSHHPSHTUCV-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
CID 167960422
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 119128786
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 20649394
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 119128790
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
1-benzyl-4-(prop-2-enylamino)piperidin-2-one
CID 67325743
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
(1R,4S)-7-benzyl-2-but-3-enyl-7-azabicyclo[2.2.1]heptane
CID 134905454
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine (CID 118993423) is 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine is C=CCNC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GNRGSHHPSHTUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-10-18-15-11-16-8-9-17(12-15)19(16)13-14-6-4-3-5-7-14/h2-7,15-18H,1,8-13H2.
What are the key properties of 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 256.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 118993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).