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

C15H21N3 — CID 618112

IUPAC1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESNC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C15H21N3/c16-14-12-8-17-6-7-18(9-12)11-15(14,10-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2
InChIKeyABIXKBMKJXACGJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.51
Rot. Bonds1

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

1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (PubChem CID 618112) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.

Molecular Properties

Compound Name1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
PubChem CID618112
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine
SMILESNC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C15H21N3/c16-14-12-8-17-6-7-18(9-12)11-15(14,10-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2
InChIKeyABIXKBMKJXACGJ-UHFFFAOYSA-N
XLogP0.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The IUPAC name of 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine (CID 618112) is 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine.
What is the SMILES notation for 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The canonical SMILES for 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is NC1C2CN3CCN(C2)CC1(c1ccccc1)C3.
What is the InChIKey of 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
The InChIKey is ABIXKBMKJXACGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-14-12-8-17-6-7-18(9-12)11-15(14,10-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2.
What are the key properties of 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine?
1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine has a molecular weight of 243.35 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-amine is sourced from PubChem (CID 618112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).