N-(3-methylidenepent-1-en-2-yl)methanimine

C7H11N — CID 148583228

IUPACN-(3-methylidenepent-1-en-2-yl)methanimine
SMILESC=NC(=C)C(=C)CC
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h2-5H2,1H3
InChIKeyMZDXTKBRTROTAR-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds3

About N-(3-methylidenepent-1-en-2-yl)methanimine

N-(3-methylidenepent-1-en-2-yl)methanimine (PubChem CID 148583228) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(3-methylidenepent-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylidenepent-1-en-2-yl)methanimine
PubChem CID148583228
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(3-methylidenepent-1-en-2-yl)methanimine
SMILESC=NC(=C)C(=C)CC
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h2-5H2,1H3
InChIKeyMZDXTKBRTROTAR-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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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Related Compounds

N-(3-methylbuta-1,3-dien-2-yl)methanimine
CID 58825943
N-(3-methylpent-1-en-2-yl)methanimine
CID 90970765
N-(3-methylidenepenta-1,4-dien-2-yl)methanimine
CID 138739922
N-pent-1-en-2-ylmethanimine
CID 141885947
N-[(3R)-3-methylpent-1-en-2-yl]methanimine
CID 163947990
N-(4-methylpent-1-en-2-yl)methanimine
CID 60089867
N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine
CID 144525686

Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenepent-1-en-2-yl)methanimine?
The IUPAC name of N-(3-methylidenepent-1-en-2-yl)methanimine (CID 148583228) is N-(3-methylidenepent-1-en-2-yl)methanimine.
What is the SMILES notation for N-(3-methylidenepent-1-en-2-yl)methanimine?
The canonical SMILES for N-(3-methylidenepent-1-en-2-yl)methanimine is C=NC(=C)C(=C)CC.
What is the InChIKey of N-(3-methylidenepent-1-en-2-yl)methanimine?
The InChIKey is MZDXTKBRTROTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h2-5H2,1H3.
What are the key properties of N-(3-methylidenepent-1-en-2-yl)methanimine?
N-(3-methylidenepent-1-en-2-yl)methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenepent-1-en-2-yl)methanimine is sourced from PubChem (CID 148583228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).