N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine

C10H17N — CID 123327570

IUPACN-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine
SMILESC=NC(C)=CCC(C)=C(C)C
InChIInChI=1S/C10H17N/c1-8(2)9(3)6-7-10(4)11-5/h7H,5-6H2,1-4H3
InChIKeyMQHZYOMCKGOPLS-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds3

About N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine

N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine (PubChem CID 123327570) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine.

Molecular Properties

Compound NameN-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine
PubChem CID123327570
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine
SMILESC=NC(C)=CCC(C)=C(C)C
InChIInChI=1S/C10H17N/c1-8(2)9(3)6-7-10(4)11-5/h7H,5-6H2,1-4H3
InChIKeyMQHZYOMCKGOPLS-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine?
The IUPAC name of N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine (CID 123327570) is N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine.
What is the SMILES notation for N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine?
The canonical SMILES for N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine is C=NC(C)=CCC(C)=C(C)C.
What is the InChIKey of N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine?
The InChIKey is MQHZYOMCKGOPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)9(3)6-7-10(4)11-5/h7H,5-6H2,1-4H3.
What are the key properties of N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine?
N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylhepta-2,5-dien-2-yl)methanimine is sourced from PubChem (CID 123327570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).