3-propan-2-ylcyclopentan-1-imine

C8H15N — CID 138538445

IUPAC3-propan-2-ylcyclopentan-1-imine
SMILES[H]/N=C1\CCC(C(C)C)C1
InChIInChI=1S/C8H15N/c1-6(2)7-3-4-8(9)5-7/h6-7,9H,3-5H2,1-2H3/b9-8+
InChIKeyVWFANJVFLCVTMA-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.46
Rot. Bonds1

About 3-propan-2-ylcyclopentan-1-imine

3-propan-2-ylcyclopentan-1-imine (PubChem CID 138538445) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-propan-2-ylcyclopentan-1-imine.

Molecular Properties

Compound Name3-propan-2-ylcyclopentan-1-imine
PubChem CID138538445
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-propan-2-ylcyclopentan-1-imine
SMILES[H]/N=C1\CCC(C(C)C)C1
InChIInChI=1S/C8H15N/c1-6(2)7-3-4-8(9)5-7/h6-7,9H,3-5H2,1-2H3/b9-8+
InChIKeyVWFANJVFLCVTMA-CMDGGOBGSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
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 3-propan-2-ylcyclopentan-1-imine?
The IUPAC name of 3-propan-2-ylcyclopentan-1-imine (CID 138538445) is 3-propan-2-ylcyclopentan-1-imine.
What is the SMILES notation for 3-propan-2-ylcyclopentan-1-imine?
The canonical SMILES for 3-propan-2-ylcyclopentan-1-imine is [H]/N=C1\CCC(C(C)C)C1.
What is the InChIKey of 3-propan-2-ylcyclopentan-1-imine?
The InChIKey is VWFANJVFLCVTMA-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)7-3-4-8(9)5-7/h6-7,9H,3-5H2,1-2H3/b9-8+.
What are the key properties of 3-propan-2-ylcyclopentan-1-imine?
3-propan-2-ylcyclopentan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclopentan-1-imine is sourced from PubChem (CID 138538445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).