1-cyclopentyl-3,3-dimethylbutan-1-imine

C11H21N — CID 89059195

IUPAC1-cyclopentyl-3,3-dimethylbutan-1-imine
SMILES[H]/N=C(\CC(C)(C)C)C1CCCC1
InChIInChI=1S/C11H21N/c1-11(2,3)8-10(12)9-6-4-5-7-9/h9,12H,4-8H2,1-3H3/b12-10+
InChIKeyHPOJZVZDPAWPHP-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.63
Rot. Bonds2

About 1-cyclopentyl-3,3-dimethylbutan-1-imine

1-cyclopentyl-3,3-dimethylbutan-1-imine (PubChem CID 89059195) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclopentyl-3,3-dimethylbutan-1-imine.

Molecular Properties

Compound Name1-cyclopentyl-3,3-dimethylbutan-1-imine
PubChem CID89059195
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclopentyl-3,3-dimethylbutan-1-imine
SMILES[H]/N=C(\CC(C)(C)C)C1CCCC1
InChIInChI=1S/C11H21N/c1-11(2,3)8-10(12)9-6-4-5-7-9/h9,12H,4-8H2,1-3H3/b12-10+
InChIKeyHPOJZVZDPAWPHP-ZRDIBKRKSA-N
XLogP3.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.63
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 1-cyclopentyl-3,3-dimethylbutan-1-imine?
The IUPAC name of 1-cyclopentyl-3,3-dimethylbutan-1-imine (CID 89059195) is 1-cyclopentyl-3,3-dimethylbutan-1-imine.
What is the SMILES notation for 1-cyclopentyl-3,3-dimethylbutan-1-imine?
The canonical SMILES for 1-cyclopentyl-3,3-dimethylbutan-1-imine is [H]/N=C(\CC(C)(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,3-dimethylbutan-1-imine?
The InChIKey is HPOJZVZDPAWPHP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)8-10(12)9-6-4-5-7-9/h9,12H,4-8H2,1-3H3/b12-10+.
What are the key properties of 1-cyclopentyl-3,3-dimethylbutan-1-imine?
1-cyclopentyl-3,3-dimethylbutan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3-dimethylbutan-1-imine is sourced from PubChem (CID 89059195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).