2-(furan-2-ylmethyl)-1-hexylguanidine

C12H21N3O — CID 110914351

IUPAC2-(furan-2-ylmethyl)-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/Cc1ccco1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-8-14-12(13)15-10-11-7-6-9-16-11/h6-7,9H,2-5,8,10H2,1H3,(H3,13,14,15)
InChIKeyNEUGBNPFYGSKRA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds7

About 2-(furan-2-ylmethyl)-1-hexylguanidine

2-(furan-2-ylmethyl)-1-hexylguanidine (PubChem CID 110914351) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-hexylguanidine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-hexylguanidine
PubChem CID110914351
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(furan-2-ylmethyl)-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/Cc1ccco1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-8-14-12(13)15-10-11-7-6-9-16-11/h6-7,9H,2-5,8,10H2,1H3,(H3,13,14,15)
InChIKeyNEUGBNPFYGSKRA-UHFFFAOYSA-N
XLogP2.26
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
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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Related Compounds

2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
1-amino-3-butyl-2-(furan-2-ylmethyl)guanidine
CID 116511392
2-[2-(furan-2-yl)-2-hydroxypropyl]-1-octylguanidine
CID 111819960
1-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(furan-2-ylmethyl)guanidine
CID 95278707
1-hexyl-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077305
1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058198
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-hexylguanidine
CID 111034457
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-hexylguanidine?
The IUPAC name of 2-(furan-2-ylmethyl)-1-hexylguanidine (CID 110914351) is 2-(furan-2-ylmethyl)-1-hexylguanidine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-hexylguanidine?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-hexylguanidine is CCCCCCN/C(N)=N/Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-hexylguanidine?
The InChIKey is NEUGBNPFYGSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-8-14-12(13)15-10-11-7-6-9-16-11/h6-7,9H,2-5,8,10H2,1H3,(H3,13,14,15).
What are the key properties of 2-(furan-2-ylmethyl)-1-hexylguanidine?
2-(furan-2-ylmethyl)-1-hexylguanidine has a molecular weight of 223.32 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-hexylguanidine is sourced from PubChem (CID 110914351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).