bicyclo[3.3.1]nonan-1-amine

C9H17N — CID 4522268

IUPACbicyclo[3.3.1]nonan-1-amine
SMILESNC12CCCC(CCC1)C2
InChIInChI=1S/C9H17N/c10-9-5-1-3-8(7-9)4-2-6-9/h8H,1-7,10H2
InChIKeyMZKHNNHHGGKELH-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.06
Rot. Bonds

About bicyclo[3.3.1]nonan-1-amine

bicyclo[3.3.1]nonan-1-amine (PubChem CID 4522268) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is bicyclo[3.3.1]nonan-1-amine.

Molecular Properties

Compound Namebicyclo[3.3.1]nonan-1-amine
PubChem CID4522268
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namebicyclo[3.3.1]nonan-1-amine
SMILESNC12CCCC(CCC1)C2
InChIInChI=1S/C9H17N/c10-9-5-1-3-8(7-9)4-2-6-9/h8H,1-7,10H2
InChIKeyMZKHNNHHGGKELH-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonan-1-amine?
The IUPAC name of bicyclo[3.3.1]nonan-1-amine (CID 4522268) is bicyclo[3.3.1]nonan-1-amine.
What is the SMILES notation for bicyclo[3.3.1]nonan-1-amine?
The canonical SMILES for bicyclo[3.3.1]nonan-1-amine is NC12CCCC(CCC1)C2.
What is the InChIKey of bicyclo[3.3.1]nonan-1-amine?
The InChIKey is MZKHNNHHGGKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-9-5-1-3-8(7-9)4-2-6-9/h8H,1-7,10H2.
What are the key properties of bicyclo[3.3.1]nonan-1-amine?
bicyclo[3.3.1]nonan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonan-1-amine is sourced from PubChem (CID 4522268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).