2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride

C9H16ClN5O — CID 53307570

IUPAC2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
SMILESCN(C)/C(N)=N/C(N)=N/Cc1ccco1.Cl
InChIInChI=1S/C9H15N5O.ClH/c1-14(2)9(11)13-8(10)12-6-7-4-3-5-15-7;/h3-5H,6H2,1-2H3,(H4,10,11,12,13);1H
InChIKeyRSPQYSWTNIXHQV-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.39
Rot. Bonds2

About 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride

2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride (PubChem CID 53307570) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride.

Molecular Properties

Compound Name2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
PubChem CID53307570
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
SMILESCN(C)/C(N)=N/C(N)=N/Cc1ccco1.Cl
InChIInChI=1S/C9H15N5O.ClH/c1-14(2)9(11)13-8(10)12-6-7-4-3-5-15-7;/h3-5H,6H2,1-2H3,(H4,10,11,12,13);1H
InChIKeyRSPQYSWTNIXHQV-UHFFFAOYSA-N
XLogP0.39
TPSA93.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.39
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'}

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Related Compounds

1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
CID 162321275
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
3-N'-(furan-2-ylmethyl)propanediimidamide
CID 10442294
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-(furan-2-ylmethyl)-1-hexylguanidine
CID 110914351
2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 21213
1-tert-butyl-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]guanidine
CID 111819150
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
1-amino-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 116511400

Frequently Asked Questions

What is the IUPAC name of 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
The IUPAC name of 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride (CID 53307570) is 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride.
What is the SMILES notation for 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
The canonical SMILES for 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride is CN(C)/C(N)=N/C(N)=N/Cc1ccco1.Cl.
What is the InChIKey of 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
The InChIKey is RSPQYSWTNIXHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O.ClH/c1-14(2)9(11)13-8(10)12-6-7-4-3-5-15-7;/h3-5H,6H2,1-2H3,(H4,10,11,12,13);1H.
What are the key properties of 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride?
2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride is sourced from PubChem (CID 53307570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).