azane;pent-1-en-1-imine

C5H12N2 — CID 87315342

IUPACazane;pent-1-en-1-imine
SMILESCCCC=C=N.N
InChIInChI=1S/C5H9N.H3N/c1-2-3-4-5-6;/h4,6H,2-3H2,1H3;1H3
InChIKeyCTNGKTDZMJDVLC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.75
Rot. Bonds2

About azane;pent-1-en-1-imine

azane;pent-1-en-1-imine (PubChem CID 87315342) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is azane;pent-1-en-1-imine.

Molecular Properties

Compound Nameazane;pent-1-en-1-imine
PubChem CID87315342
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Nameazane;pent-1-en-1-imine
SMILESCCCC=C=N.N
InChIInChI=1S/C5H9N.H3N/c1-2-3-4-5-6;/h4,6H,2-3H2,1H3;1H3
InChIKeyCTNGKTDZMJDVLC-UHFFFAOYSA-N
XLogP1.75
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexa-1,2-dienyl(trimethyl)silane
CID 10519640
isocyanic acid;bis(pent-1-ene)
CID 173231013
2-methylocta-2,3,4-triene
CID 11819084
2-methylocta-3,4-diene
CID 123388869
butanal;propane
CID 142417026
(3E)-octa-1,3-dien-1-imine
CID 173211592
3-methylocta-1,3,4-triene
CID 176714902
ethane;pent-1-ene;propane
CID 162735255
isocyanic acid;methane;propane
CID 174983987
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905

Frequently Asked Questions

What is the IUPAC name of azane;pent-1-en-1-imine?
The IUPAC name of azane;pent-1-en-1-imine (CID 87315342) is azane;pent-1-en-1-imine.
What is the SMILES notation for azane;pent-1-en-1-imine?
The canonical SMILES for azane;pent-1-en-1-imine is CCCC=C=N.N.
What is the InChIKey of azane;pent-1-en-1-imine?
The InChIKey is CTNGKTDZMJDVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.H3N/c1-2-3-4-5-6;/h4,6H,2-3H2,1H3;1H3.
What are the key properties of azane;pent-1-en-1-imine?
azane;pent-1-en-1-imine has a molecular weight of 100.16 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pent-1-en-1-imine is sourced from PubChem (CID 87315342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).