N-(3,4-dimethylpent-1-en-2-yl)methanimine

C8H15N — CID 142017406

IUPACN-(3,4-dimethylpent-1-en-2-yl)methanimine
SMILESC=NC(=C)C(C)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)7(3)8(4)9-5/h6-7H,4-5H2,1-3H3
InChIKeyOTSXRIOQOOEDRK-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.49
Rot. Bonds3

About N-(3,4-dimethylpent-1-en-2-yl)methanimine

N-(3,4-dimethylpent-1-en-2-yl)methanimine (PubChem CID 142017406) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(3,4-dimethylpent-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylpent-1-en-2-yl)methanimine
PubChem CID142017406
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(3,4-dimethylpent-1-en-2-yl)methanimine
SMILESC=NC(=C)C(C)C(C)C
InChIInChI=1S/C8H15N/c1-6(2)7(3)8(4)9-5/h6-7H,4-5H2,1-3H3
InChIKeyOTSXRIOQOOEDRK-UHFFFAOYSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.49
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-(3,4-dimethylpent-1-en-2-yl)methanimine?
The IUPAC name of N-(3,4-dimethylpent-1-en-2-yl)methanimine (CID 142017406) is N-(3,4-dimethylpent-1-en-2-yl)methanimine.
What is the SMILES notation for N-(3,4-dimethylpent-1-en-2-yl)methanimine?
The canonical SMILES for N-(3,4-dimethylpent-1-en-2-yl)methanimine is C=NC(=C)C(C)C(C)C.
What is the InChIKey of N-(3,4-dimethylpent-1-en-2-yl)methanimine?
The InChIKey is OTSXRIOQOOEDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)7(3)8(4)9-5/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(3,4-dimethylpent-1-en-2-yl)methanimine?
N-(3,4-dimethylpent-1-en-2-yl)methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpent-1-en-2-yl)methanimine is sourced from PubChem (CID 142017406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).