5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine

C15H30N2 — CID 55072518

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCN1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-13(2)11-16-8-4-3-5-9-17-12-14-6-7-15(17)10-14/h13-16H,3-12H2,1-2H3
InChIKeyISCUGAAJNFCYMD-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds8

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine

5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 55072518) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID55072518
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCN1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-13(2)11-16-8-4-3-5-9-17-12-14-6-7-15(17)10-14/h13-16H,3-12H2,1-2H3
InChIKeyISCUGAAJNFCYMD-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine (CID 55072518) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCCCN1CC2CCC1C2.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ISCUGAAJNFCYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)11-16-8-4-3-5-9-17-12-14-6-7-15(17)10-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine?
5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 55072518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).