N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine

C10H17N — CID 91121593

IUPACN-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine
SMILESC=NC(C)=CC(=C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-8(10(3,4)5)7-9(2)11-6/h7H,1,6H2,2-5H3
InChIKeyAFTUWOLQXBTTHP-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds2

About N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine

N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine (PubChem CID 91121593) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine
PubChem CID91121593
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine
SMILESC=NC(C)=CC(=C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-8(10(3,4)5)7-9(2)11-6/h7H,1,6H2,2-5H3
InChIKeyAFTUWOLQXBTTHP-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine?
The IUPAC name of N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine (CID 91121593) is N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine.
What is the SMILES notation for N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine?
The canonical SMILES for N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine is C=NC(C)=CC(=C)C(C)(C)C.
What is the InChIKey of N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine?
The InChIKey is AFTUWOLQXBTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(10(3,4)5)7-9(2)11-6/h7H,1,6H2,2-5H3.
What are the key properties of N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine?
N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine is sourced from PubChem (CID 91121593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).