N-[(Z)-pent-3-en-2-yl]methanimine

C6H11N — CID 144579517

IUPACN-[(Z)-pent-3-en-2-yl]methanimine
SMILESC=NC(C)/C=C\C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-6H,3H2,1-2H3/b5-4-
InChIKeyHBLLEQAELUOMHI-PLNGDYQASA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds2

About N-[(Z)-pent-3-en-2-yl]methanimine

N-[(Z)-pent-3-en-2-yl]methanimine (PubChem CID 144579517) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-[(Z)-pent-3-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-pent-3-en-2-yl]methanimine
PubChem CID144579517
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-[(Z)-pent-3-en-2-yl]methanimine
SMILESC=NC(C)/C=C\C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-6H,3H2,1-2H3/b5-4-
InChIKeyHBLLEQAELUOMHI-PLNGDYQASA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
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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Related Compounds

4-methylpent-2-ene
CID 12659
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
3-methylidenehept-5-ene-2,4-diol
CID 90801903
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
1-cyano-N'-[(Z)-pent-3-en-2-yl]methanimidamide
CID 118047422
N-[4-(methylideneamino)pentan-2-yl]methanimine
CID 20761828
pent-3-ene-2-thiol
CID 11072706
(E)-pent-3-en-2-amine
CID 13149669
(3R,5R)-3,5-dimethylheptan-4-ol;N-[(Z)-pent-3-en-2-yl]methanimine;1-[2,3,5-trimethyl-4-[4-(4-methylphenyl)phenyl]anilino]ethenol
CID 144579515
(E)-4-methylpent-2-ene;propane
CID 142019888
2-methylpent-3-enoyloxysulfanyl 2-methylpent-3-enoate
CID 91139961
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-3-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-pent-3-en-2-yl]methanimine (CID 144579517) is N-[(Z)-pent-3-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-pent-3-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-pent-3-en-2-yl]methanimine is C=NC(C)/C=C\C.
What is the InChIKey of N-[(Z)-pent-3-en-2-yl]methanimine?
The InChIKey is HBLLEQAELUOMHI-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-6H,3H2,1-2H3/b5-4-.
What are the key properties of N-[(Z)-pent-3-en-2-yl]methanimine?
N-[(Z)-pent-3-en-2-yl]methanimine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-3-en-2-yl]methanimine is sourced from PubChem (CID 144579517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).