but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene

C19H36N4 — CID 142909849

IUPACbut-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene
SMILESC=CC(=C)CC.C=CCC.CC/N=C/N=C(\N)C1CCNCC1
InChIInChI=1S/C9H18N4.C6H10.C4H8/c1-2-11-7-13-9(10)8-3-5-12-6-4-8;1-4-6(3)5-2;1-3-4-2/h7-8,12H,2-6H2,1H3,(H2,10,11,13);4H,1,3,5H2,2H3;3H,1,4H2,2H3
InChIKeyVDGZZAVQQHLCAA-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.11
Rot. Bonds6

About but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene

but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene (PubChem CID 142909849) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene.

Molecular Properties

Compound Namebut-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene
PubChem CID142909849
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Namebut-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene
SMILESC=CC(=C)CC.C=CCC.CC/N=C/N=C(\N)C1CCNCC1
InChIInChI=1S/C9H18N4.C6H10.C4H8/c1-2-11-7-13-9(10)8-3-5-12-6-4-8;1-4-6(3)5-2;1-3-4-2/h7-8,12H,2-6H2,1H3,(H2,10,11,13);4H,1,3,5H2,2H3;3H,1,4H2,2H3
InChIKeyVDGZZAVQQHLCAA-UHFFFAOYSA-N
XLogP4.11
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene?
The IUPAC name of but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene (CID 142909849) is but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene.
What is the SMILES notation for but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene?
The canonical SMILES for but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene is C=CC(=C)CC.C=CCC.CC/N=C/N=C(\N)C1CCNCC1.
What is the InChIKey of but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene?
The InChIKey is VDGZZAVQQHLCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4.C6H10.C4H8/c1-2-11-7-13-9(10)8-3-5-12-6-4-8;1-4-6(3)5-2;1-3-4-2/h7-8,12H,2-6H2,1H3,(H2,10,11,13);4H,1,3,5H2,2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene?
but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene has a molecular weight of 320.53 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N'-(ethyliminomethyl)piperidine-4-carboximidamide;3-methylidenepent-1-ene is sourced from PubChem (CID 142909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).