1-(4,4-dimethylpentan-2-yl)piperidin-2-imine

C12H24N2 — CID 131021011

IUPAC1-(4,4-dimethylpentan-2-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C(C)CC(C)(C)C
InChIInChI=1S/C12H24N2/c1-10(9-12(2,3)4)14-8-6-5-7-11(14)13/h10,13H,5-9H2,1-4H3/b13-11+
InChIKeyDFJRWMWWCCYPQG-ACCUITESSA-N
MW196.34 g/mol
LogP3.27
Rot. Bonds2

About 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine

1-(4,4-dimethylpentan-2-yl)piperidin-2-imine (PubChem CID 131021011) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine.

Molecular Properties

Compound Name1-(4,4-dimethylpentan-2-yl)piperidin-2-imine
PubChem CID131021011
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(4,4-dimethylpentan-2-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1C(C)CC(C)(C)C
InChIInChI=1S/C12H24N2/c1-10(9-12(2,3)4)14-8-6-5-7-11(14)13/h10,13H,5-9H2,1-4H3/b13-11+
InChIKeyDFJRWMWWCCYPQG-ACCUITESSA-N
XLogP3.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.27
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-(4,4-dimethylpentan-2-yl)piperidin-2-imine?
The IUPAC name of 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine (CID 131021011) is 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine.
What is the SMILES notation for 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine?
The canonical SMILES for 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine is [H]/N=C1\CCCCN1C(C)CC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine?
The InChIKey is DFJRWMWWCCYPQG-ACCUITESSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(9-12(2,3)4)14-8-6-5-7-11(14)13/h10,13H,5-9H2,1-4H3/b13-11+.
What are the key properties of 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine?
1-(4,4-dimethylpentan-2-yl)piperidin-2-imine has a molecular weight of 196.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentan-2-yl)piperidin-2-imine is sourced from PubChem (CID 131021011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).