[(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine

C14H25NO — CID 126606599

IUPAC[(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine
SMILESCC(C)OC(N)[C@@]1(C)C=C2CCC[C@H](C2)C1
InChIInChI=1S/C14H25NO/c1-10(2)16-13(15)14(3)8-11-5-4-6-12(7-11)9-14/h8,10,12-13H,4-7,9,15H2,1-3H3/t12-,13?,14+/m1/s1
InChIKeyKARGAFVZZAHMAR-YIOYIWSBSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds3

About [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine

[(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine (PubChem CID 126606599) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine.

Molecular Properties

Compound Name[(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine
PubChem CID126606599
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine
SMILESCC(C)OC(N)[C@@]1(C)C=C2CCC[C@H](C2)C1
InChIInChI=1S/C14H25NO/c1-10(2)16-13(15)14(3)8-11-5-4-6-12(7-11)9-14/h8,10,12-13H,4-7,9,15H2,1-3H3/t12-,13?,14+/m1/s1
InChIKeyKARGAFVZZAHMAR-YIOYIWSBSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine 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 [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine?
The IUPAC name of [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine (CID 126606599) is [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine.
What is the SMILES notation for [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine?
The canonical SMILES for [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine is CC(C)OC(N)[C@@]1(C)C=C2CCC[C@H](C2)C1.
What is the InChIKey of [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine?
The InChIKey is KARGAFVZZAHMAR-YIOYIWSBSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)16-13(15)14(3)8-11-5-4-6-12(7-11)9-14/h8,10,12-13H,4-7,9,15H2,1-3H3/t12-,13?,14+/m1/s1.
What are the key properties of [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine?
[(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-methyl-3-bicyclo[3.3.1]non-1-enyl]-propan-2-yloxymethanamine is sourced from PubChem (CID 126606599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).