(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine

C9H15N — CID 129066405

IUPAC(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine
SMILES[H]/N=C1/[C@@H]2CC[C@H]1CC(C)C2
InChIInChI=1S/C9H15N/c1-6-4-7-2-3-8(5-6)9(7)10/h6-8,10H,2-5H2,1H3/b10-9-/t6?,7-,8+/m1/s1
InChIKeyVRCIDMGUBNVESS-QJOANVKGSA-N
MW137.23 g/mol
LogP2.46
Rot. Bonds

About (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine

(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine (PubChem CID 129066405) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine.

Molecular Properties

Compound Name(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine
PubChem CID129066405
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine
SMILES[H]/N=C1/[C@@H]2CC[C@H]1CC(C)C2
InChIInChI=1S/C9H15N/c1-6-4-7-2-3-8(5-6)9(7)10/h6-8,10H,2-5H2,1H3/b10-9-/t6?,7-,8+/m1/s1
InChIKeyVRCIDMGUBNVESS-QJOANVKGSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine?
The IUPAC name of (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine (CID 129066405) is (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine.
What is the SMILES notation for (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine?
The canonical SMILES for (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine is [H]/N=C1/[C@@H]2CC[C@H]1CC(C)C2.
What is the InChIKey of (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine?
The InChIKey is VRCIDMGUBNVESS-QJOANVKGSA-N. The full InChI is InChI=1S/C9H15N/c1-6-4-7-2-3-8(5-6)9(7)10/h6-8,10H,2-5H2,1H3/b10-9-/t6?,7-,8+/m1/s1.
What are the key properties of (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine?
(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine has a molecular weight of 137.23 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine is sourced from PubChem (CID 129066405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).