tricyclo[3.3.1.03,7]nonane-3,7-diamine

C9H16N2 — CID 10855666

IUPACtricyclo[3.3.1.03,7]nonane-3,7-diamine
SMILESNC12CC3CC(C1)CC2(N)C3
InChIInChI=1S/C9H16N2/c10-8-2-6-1-7(4-8)5-9(8,11)3-6/h6-7H,1-5,10-11H2
InChIKeyJEQUFMFAUVNQLK-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.61
Rot. Bonds

About tricyclo[3.3.1.03,7]nonane-3,7-diamine

tricyclo[3.3.1.03,7]nonane-3,7-diamine (PubChem CID 10855666) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is tricyclo[3.3.1.03,7]nonane-3,7-diamine.

Molecular Properties

Compound Nametricyclo[3.3.1.03,7]nonane-3,7-diamine
PubChem CID10855666
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nametricyclo[3.3.1.03,7]nonane-3,7-diamine
SMILESNC12CC3CC(C1)CC2(N)C3
InChIInChI=1S/C9H16N2/c10-8-2-6-1-7(4-8)5-9(8,11)3-6/h6-7H,1-5,10-11H2
InChIKeyJEQUFMFAUVNQLK-UHFFFAOYSA-N
XLogP0.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.1.03,7]nonane-3,7-diamine?
The IUPAC name of tricyclo[3.3.1.03,7]nonane-3,7-diamine (CID 10855666) is tricyclo[3.3.1.03,7]nonane-3,7-diamine.
What is the SMILES notation for tricyclo[3.3.1.03,7]nonane-3,7-diamine?
The canonical SMILES for tricyclo[3.3.1.03,7]nonane-3,7-diamine is NC12CC3CC(C1)CC2(N)C3.
What is the InChIKey of tricyclo[3.3.1.03,7]nonane-3,7-diamine?
The InChIKey is JEQUFMFAUVNQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-8-2-6-1-7(4-8)5-9(8,11)3-6/h6-7H,1-5,10-11H2.
What are the key properties of tricyclo[3.3.1.03,7]nonane-3,7-diamine?
tricyclo[3.3.1.03,7]nonane-3,7-diamine has a molecular weight of 152.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.1.03,7]nonane-3,7-diamine is sourced from PubChem (CID 10855666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).