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

C15H28N2 — CID 114108302

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC1(CNCCC2CC3CCC(C2)N3)CCC1
InChIInChI=1S/C15H28N2/c1-15(6-2-7-15)11-16-8-5-12-9-13-3-4-14(10-12)17-13/h12-14,16-17H,2-11H2,1H3
InChIKeyDVXYUNSSNDTCKO-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.69
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 114108302) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID114108302
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC1(CNCCC2CC3CCC(C2)N3)CCC1
InChIInChI=1S/C15H28N2/c1-15(6-2-7-15)11-16-8-5-12-9-13-3-4-14(10-12)17-13/h12-14,16-17H,2-11H2,1H3
InChIKeyDVXYUNSSNDTCKO-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.69
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-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 114108302) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine is CC1(CNCCC2CC3CCC(C2)N3)CCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is DVXYUNSSNDTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-15(6-2-7-15)11-16-8-5-12-9-13-3-4-14(10-12)17-13/h12-14,16-17H,2-11H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 236.40 g/mol, XLogP of 2.69, 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-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 114108302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).