N,4-dimethyl-3-methylidenepentan-2-imine

C8H15N — CID 129212960

IUPACN,4-dimethyl-3-methylidenepentan-2-imine
SMILESC=C(/C(C)=N/C)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)7(3)8(4)9-5/h6H,3H2,1-2,4-5H3/b9-8+
InChIKeyPWFXZAPKIGKGBN-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds2

About N,4-dimethyl-3-methylidenepentan-2-imine

N,4-dimethyl-3-methylidenepentan-2-imine (PubChem CID 129212960) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,4-dimethyl-3-methylidenepentan-2-imine.

Molecular Properties

Compound NameN,4-dimethyl-3-methylidenepentan-2-imine
PubChem CID129212960
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,4-dimethyl-3-methylidenepentan-2-imine
SMILESC=C(/C(C)=N/C)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)7(3)8(4)9-5/h6H,3H2,1-2,4-5H3/b9-8+
InChIKeyPWFXZAPKIGKGBN-CMDGGOBGSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
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 N,4-dimethyl-3-methylidenepentan-2-imine?
The IUPAC name of N,4-dimethyl-3-methylidenepentan-2-imine (CID 129212960) is N,4-dimethyl-3-methylidenepentan-2-imine.
What is the SMILES notation for N,4-dimethyl-3-methylidenepentan-2-imine?
The canonical SMILES for N,4-dimethyl-3-methylidenepentan-2-imine is C=C(/C(C)=N/C)C(C)C.
What is the InChIKey of N,4-dimethyl-3-methylidenepentan-2-imine?
The InChIKey is PWFXZAPKIGKGBN-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)7(3)8(4)9-5/h6H,3H2,1-2,4-5H3/b9-8+.
What are the key properties of N,4-dimethyl-3-methylidenepentan-2-imine?
N,4-dimethyl-3-methylidenepentan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-methylidenepentan-2-imine is sourced from PubChem (CID 129212960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).