3-azabicyclo[11.1.0]tetradecan-4-amine

C13H26N2 — CID 167111483

IUPAC3-azabicyclo[11.1.0]tetradecan-4-amine
SMILESNC1CCCCCCCCC2CC2CN1
InChIInChI=1S/C13H26N2/c14-13-8-6-4-2-1-3-5-7-11-9-12(11)10-15-13/h11-13,15H,1-10,14H2
InChIKeyDRABLTZOCJLVSM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.63
Rot. Bonds

About 3-azabicyclo[11.1.0]tetradecan-4-amine

3-azabicyclo[11.1.0]tetradecan-4-amine (PubChem CID 167111483) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-azabicyclo[11.1.0]tetradecan-4-amine.

Molecular Properties

Compound Name3-azabicyclo[11.1.0]tetradecan-4-amine
PubChem CID167111483
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-azabicyclo[11.1.0]tetradecan-4-amine
SMILESNC1CCCCCCCCC2CC2CN1
InChIInChI=1S/C13H26N2/c14-13-8-6-4-2-1-3-5-7-11-9-12(11)10-15-13/h11-13,15H,1-10,14H2
InChIKeyDRABLTZOCJLVSM-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[11.1.0]tetradecan-4-amine?
The IUPAC name of 3-azabicyclo[11.1.0]tetradecan-4-amine (CID 167111483) is 3-azabicyclo[11.1.0]tetradecan-4-amine.
What is the SMILES notation for 3-azabicyclo[11.1.0]tetradecan-4-amine?
The canonical SMILES for 3-azabicyclo[11.1.0]tetradecan-4-amine is NC1CCCCCCCCC2CC2CN1.
What is the InChIKey of 3-azabicyclo[11.1.0]tetradecan-4-amine?
The InChIKey is DRABLTZOCJLVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-13-8-6-4-2-1-3-5-7-11-9-12(11)10-15-13/h11-13,15H,1-10,14H2.
What are the key properties of 3-azabicyclo[11.1.0]tetradecan-4-amine?
3-azabicyclo[11.1.0]tetradecan-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[11.1.0]tetradecan-4-amine is sourced from PubChem (CID 167111483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).