N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide

C12H24N4 — CID 173489698

IUPACN'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)NC(C)=N/C(N)=N/CCCCCC
InChIInChI=1S/C12H24N4/c1-5-6-7-8-9-14-12(13)16-11(4)15-10(2)3/h2,5-9H2,1,3-4H3,(H3,13,14,15,16)
InChIKeyZRMRZDLSFDYNPC-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.42
Rot. Bonds6

About N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide

N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide (PubChem CID 173489698) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
PubChem CID173489698
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)NC(C)=N/C(N)=N/CCCCCC
InChIInChI=1S/C12H24N4/c1-5-6-7-8-9-14-12(13)16-11(4)15-10(2)3/h2,5-9H2,1,3-4H3,(H3,13,14,15,16)
InChIKeyZRMRZDLSFDYNPC-UHFFFAOYSA-N
XLogP2.42
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide (CID 173489698) is N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide is C=C(C)NC(C)=N/C(N)=N/CCCCCC.
What is the InChIKey of N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide?
The InChIKey is ZRMRZDLSFDYNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-6-7-8-9-14-12(13)16-11(4)15-10(2)3/h2,5-9H2,1,3-4H3,(H3,13,14,15,16).
What are the key properties of N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide?
N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide has a molecular weight of 224.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 173489698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).