2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

C14H29N3 — CID 19108420

IUPAC2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCC(N)(CCC)C1C(N)C2CCN1CC2
InChIInChI=1S/C14H29N3/c1-3-7-14(16,8-4-2)13-12(15)11-5-9-17(13)10-6-11/h11-13H,3-10,15-16H2,1-2H3
InChIKeyCAKIMSRFCWLFPT-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.71
Rot. Bonds5

About 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 19108420) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID19108420
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCC(N)(CCC)C1C(N)C2CCN1CC2
InChIInChI=1S/C14H29N3/c1-3-7-14(16,8-4-2)13-12(15)11-5-9-17(13)10-6-11/h11-13H,3-10,15-16H2,1-2H3
InChIKeyCAKIMSRFCWLFPT-UHFFFAOYSA-N
XLogP1.71
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 19108420) is 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is CCCC(N)(CCC)C1C(N)C2CCN1CC2.
What is the InChIKey of 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is CAKIMSRFCWLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-7-14(16,8-4-2)13-12(15)11-5-9-17(13)10-6-11/h11-13H,3-10,15-16H2,1-2H3.
What are the key properties of 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoheptan-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 19108420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).