4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine

C12H21N — CID 81496525

IUPAC4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine
SMILESCCC1(C)C(N)C2C3CCC(C3)C21
InChIInChI=1S/C12H21N/c1-3-12(2)10-8-5-4-7(6-8)9(10)11(12)13/h7-11H,3-6,13H2,1-2H3
InChIKeySVHCNXSTFJTPKT-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.41
Rot. Bonds1

About 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine

4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine (PubChem CID 81496525) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine.

Molecular Properties

Compound Name4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine
PubChem CID81496525
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine
SMILESCCC1(C)C(N)C2C3CCC(C3)C21
InChIInChI=1S/C12H21N/c1-3-12(2)10-8-5-4-7(6-8)9(10)11(12)13/h7-11H,3-6,13H2,1-2H3
InChIKeySVHCNXSTFJTPKT-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine?
The IUPAC name of 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine (CID 81496525) is 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine.
What is the SMILES notation for 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine?
The canonical SMILES for 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine is CCC1(C)C(N)C2C3CCC(C3)C21.
What is the InChIKey of 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine?
The InChIKey is SVHCNXSTFJTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-12(2)10-8-5-4-7(6-8)9(10)11(12)13/h7-11H,3-6,13H2,1-2H3.
What are the key properties of 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine?
4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine has a molecular weight of 179.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine is sourced from PubChem (CID 81496525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).