2,4-dimethylpentan-3-imine

C7H15N — CID 20560155

IUPAC2,4-dimethylpentan-3-imine
SMILES[H]N=C(C(C)C)C(C)C
InChIInChI=1S/C7H15N/c1-5(2)7(8)6(3)4/h5-6,8H,1-4H3
InChIKeyMSSOYRMNKPKEGK-UHFFFAOYSA-N
MW113.20 g/mol
LogP2.32
Rot. Bonds2

About 2,4-dimethylpentan-3-imine

2,4-dimethylpentan-3-imine (PubChem CID 20560155) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-imine.

Molecular Properties

Compound Name2,4-dimethylpentan-3-imine
PubChem CID20560155
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2,4-dimethylpentan-3-imine
SMILES[H]N=C(C(C)C)C(C)C
InChIInChI=1S/C7H15N/c1-5(2)7(8)6(3)4/h5-6,8H,1-4H3
InChIKeyMSSOYRMNKPKEGK-UHFFFAOYSA-N
XLogP2.32
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.32
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 2,4-dimethylpentan-3-imine?
The IUPAC name of 2,4-dimethylpentan-3-imine (CID 20560155) is 2,4-dimethylpentan-3-imine.
What is the SMILES notation for 2,4-dimethylpentan-3-imine?
The canonical SMILES for 2,4-dimethylpentan-3-imine is [H]N=C(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-imine?
The InChIKey is MSSOYRMNKPKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5(2)7(8)6(3)4/h5-6,8H,1-4H3.
What are the key properties of 2,4-dimethylpentan-3-imine?
2,4-dimethylpentan-3-imine has a molecular weight of 113.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-imine is sourced from PubChem (CID 20560155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).