1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine

C13H25N3 — CID 138373781

IUPAC1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESCCCCC12CN3CCN(CC(C3)C1N)C2
InChIInChI=1S/C13H25N3/c1-2-3-4-13-9-15-5-6-16(10-13)8-11(7-15)12(13)14/h11-12H,2-10,14H2,1H3
InChIKeyVLJBOAUQMHQCPH-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.75
Rot. Bonds3

About 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine

1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (PubChem CID 138373781) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.

Molecular Properties

Compound Name1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
PubChem CID138373781
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESCCCCC12CN3CCN(CC(C3)C1N)C2
InChIInChI=1S/C13H25N3/c1-2-3-4-13-9-15-5-6-16(10-13)8-11(7-15)12(13)14/h11-12H,2-10,14H2,1H3
InChIKeyVLJBOAUQMHQCPH-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-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 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The IUPAC name of 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (CID 138373781) is 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.
What is the SMILES notation for 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The canonical SMILES for 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is CCCCC12CN3CCN(CC(C3)C1N)C2.
What is the InChIKey of 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The InChIKey is VLJBOAUQMHQCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-3-4-13-9-15-5-6-16(10-13)8-11(7-15)12(13)14/h11-12H,2-10,14H2,1H3.
What are the key properties of 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine has a molecular weight of 223.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is sourced from PubChem (CID 138373781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).