N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

C19H34N2 — CID 106654312

IUPACN-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCCCC1)C1CC2CCC(C1)N2C
InChIInChI=1S/C19H34N2/c1-3-20-19(15-9-7-5-4-6-8-10-15)16-13-17-11-12-18(14-16)21(17)2/h9,16-20H,3-8,10-14H2,1-2H3
InChIKeyZOYWCBMCGBBQJV-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.12
Rot. Bonds4

About N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (PubChem CID 106654312) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
PubChem CID106654312
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCCCC1)C1CC2CCC(C1)N2C
InChIInChI=1S/C19H34N2/c1-3-20-19(15-9-7-5-4-6-8-10-15)16-13-17-11-12-18(14-16)21(17)2/h9,16-20H,3-8,10-14H2,1-2H3
InChIKeyZOYWCBMCGBBQJV-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.12
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

N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[cyclohepten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 106657058
N-[cyclohexen-1-yl(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 106653327

Frequently Asked Questions

What is the IUPAC name of N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (CID 106654312) is N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is CCNC(C1=CCCCCCC1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The InChIKey is ZOYWCBMCGBBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-20-19(15-9-7-5-4-6-8-10-15)16-13-17-11-12-18(14-16)21(17)2/h9,16-20H,3-8,10-14H2,1-2H3.
What are the key properties of N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine has a molecular weight of 290.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is sourced from PubChem (CID 106654312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).