3-cyclopentyl-3-methylbutan-2-imine

C10H19N — CID 137398060

IUPAC3-cyclopentyl-3-methylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)C1CCCC1
InChIInChI=1S/C10H19N/c1-8(11)10(2,3)9-6-4-5-7-9/h9,11H,4-7H2,1-3H3/b11-8+
InChIKeyIHSPHYLNOWPUMR-DHZHZOJOSA-N
MW153.27 g/mol
LogP3.24
Rot. Bonds2

About 3-cyclopentyl-3-methylbutan-2-imine

3-cyclopentyl-3-methylbutan-2-imine (PubChem CID 137398060) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-cyclopentyl-3-methylbutan-2-imine.

Molecular Properties

Compound Name3-cyclopentyl-3-methylbutan-2-imine
PubChem CID137398060
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-cyclopentyl-3-methylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)C1CCCC1
InChIInChI=1S/C10H19N/c1-8(11)10(2,3)9-6-4-5-7-9/h9,11H,4-7H2,1-3H3/b11-8+
InChIKeyIHSPHYLNOWPUMR-DHZHZOJOSA-N
XLogP3.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.24
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-cyclopentyl-3-methylbutan-2-imine?
The IUPAC name of 3-cyclopentyl-3-methylbutan-2-imine (CID 137398060) is 3-cyclopentyl-3-methylbutan-2-imine.
What is the SMILES notation for 3-cyclopentyl-3-methylbutan-2-imine?
The canonical SMILES for 3-cyclopentyl-3-methylbutan-2-imine is [H]/N=C(\C)C(C)(C)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-methylbutan-2-imine?
The InChIKey is IHSPHYLNOWPUMR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19N/c1-8(11)10(2,3)9-6-4-5-7-9/h9,11H,4-7H2,1-3H3/b11-8+.
What are the key properties of 3-cyclopentyl-3-methylbutan-2-imine?
3-cyclopentyl-3-methylbutan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-methylbutan-2-imine is sourced from PubChem (CID 137398060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).