2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine

C16H30N2 — CID 79615133

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
SMILESCC1(CNCCC2CC3CCC(C2)N3)CCCC1
InChIInChI=1S/C16H30N2/c1-16(7-2-3-8-16)12-17-9-6-13-10-14-4-5-15(11-13)18-14/h13-15,17-18H,2-12H2,1H3
InChIKeyVGYSMCKFOZZNAZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.08
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 79615133) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
PubChem CID79615133
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
SMILESCC1(CNCCC2CC3CCC(C2)N3)CCCC1
InChIInChI=1S/C16H30N2/c1-16(7-2-3-8-16)12-17-9-6-13-10-14-4-5-15(11-13)18-14/h13-15,17-18H,2-12H2,1H3
InChIKeyVGYSMCKFOZZNAZ-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine (CID 79615133) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine is CC1(CNCCC2CC3CCC(C2)N3)CCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is VGYSMCKFOZZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(7-2-3-8-16)12-17-9-6-13-10-14-4-5-15(11-13)18-14/h13-15,17-18H,2-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 79615133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).