1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide

C15H27IN4O — CID 119151160

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccoc1)NCC1(N(C)C)CCCC1.I
InChIInChI=1S/C15H26N4O.HI/c1-16-14(17-10-13-6-9-20-11-13)18-12-15(19(2)3)7-4-5-8-15;/h6,9,11H,4-5,7-8,10,12H2,1-3H3,(H2,16,17,18);1H
InChIKeyCMDHLTQCTROGFW-UHFFFAOYSA-N
MW406.31 g/mol
LogP2.44
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide

1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 119151160) has the molecular formula C15H27IN4O and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID119151160
Molecular FormulaC15H27IN4O
Molecular Weight406.31 g/mol
Exact Mass406.12
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccoc1)NCC1(N(C)C)CCCC1.I
InChIInChI=1S/C15H26N4O.HI/c1-16-14(17-10-13-6-9-20-11-13)18-12-15(19(2)3)7-4-5-8-15;/h6,9,11H,4-5,7-8,10,12H2,1-3H3,(H2,16,17,18);1H
InChIKeyCMDHLTQCTROGFW-UHFFFAOYSA-N
XLogP2.44
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 119150879
1-(2-chloroprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119141140
1-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111787461
1-(2-bromoprop-2-enyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151152
1-(furan-3-ylmethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130018
1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119149200
1-(1,4-dioxan-2-ylmethyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151246
1-[(4-bromothiophen-2-yl)methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151262
1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151203
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940452
1-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111786313
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119141862

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide (CID 119151160) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1ccoc1)NCC1(N(C)C)CCCC1.I.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is CMDHLTQCTROGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.HI/c1-16-14(17-10-13-6-9-20-11-13)18-12-15(19(2)3)7-4-5-8-15;/h6,9,11H,4-5,7-8,10,12H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide?
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 406.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119151160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).