1-(N'-hexylcarbamimidoyl)-2-propylguanidine

C11H25N5 — CID 53307317

IUPAC1-(N'-hexylcarbamimidoyl)-2-propylguanidine
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCC
InChIInChI=1S/C11H25N5/c1-3-5-6-7-9-15-11(13)16-10(12)14-8-4-2/h3-9H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyDVWZZNFOTAANSD-UHFFFAOYSA-N
MW227.36 g/mol
LogP1.20
Rot. Bonds7

About 1-(N'-hexylcarbamimidoyl)-2-propylguanidine

1-(N'-hexylcarbamimidoyl)-2-propylguanidine (PubChem CID 53307317) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-(N'-hexylcarbamimidoyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(N'-hexylcarbamimidoyl)-2-propylguanidine
PubChem CID53307317
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-(N'-hexylcarbamimidoyl)-2-propylguanidine
SMILESCCCCCC/N=C(\N)N/C(N)=N/CCC
InChIInChI=1S/C11H25N5/c1-3-5-6-7-9-15-11(13)16-10(12)14-8-4-2/h3-9H2,1-2H3,(H5,12,13,14,15,16)
InChIKeyDVWZZNFOTAANSD-UHFFFAOYSA-N
XLogP1.20
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-(N'-hexylcarbamimidoyl)-2-propylguanidine?
The IUPAC name of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine (CID 53307317) is 1-(N'-hexylcarbamimidoyl)-2-propylguanidine.
What is the SMILES notation for 1-(N'-hexylcarbamimidoyl)-2-propylguanidine?
The canonical SMILES for 1-(N'-hexylcarbamimidoyl)-2-propylguanidine is CCCCCC/N=C(\N)N/C(N)=N/CCC.
What is the InChIKey of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine?
The InChIKey is DVWZZNFOTAANSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-3-5-6-7-9-15-11(13)16-10(12)14-8-4-2/h3-9H2,1-2H3,(H5,12,13,14,15,16).
What are the key properties of 1-(N'-hexylcarbamimidoyl)-2-propylguanidine?
1-(N'-hexylcarbamimidoyl)-2-propylguanidine has a molecular weight of 227.36 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hexylcarbamimidoyl)-2-propylguanidine is sourced from PubChem (CID 53307317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).