1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine

C16H28N4S — CID 119150879

IUPAC1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccsc1)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H28N4S/c1-17-15(18-11-14-7-10-21-12-14)19-13-16(20(2)3)8-5-4-6-9-16/h7,10,12H,4-6,8-9,11,13H2,1-3H3,(H2,17,18,19)
InChIKeyBHWAXGKDFQFSEC-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.68
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine

1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine (PubChem CID 119150879) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
PubChem CID119150879
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC Name1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccsc1)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H28N4S/c1-17-15(18-11-14-7-10-21-12-14)19-13-16(20(2)3)8-5-4-6-9-16/h7,10,12H,4-6,8-9,11,13H2,1-3H3,(H2,17,18,19)
InChIKeyBHWAXGKDFQFSEC-UHFFFAOYSA-N
XLogP2.68
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.68
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'}

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Related Compounds

1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940452
1-[[1-(dimethylamino)cyclopentyl]methyl]-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151160
2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
CID 111849920
1-[[1-(dimethylamino)cycloheptyl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119149200
1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940680
1-[3-(dimethylamino)propyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940580
1-[(4-chlorophenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111130694
2-methyl-1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111411282
1-cyclopentyl-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 110989877
N,N-dimethyl-3-[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]propanamide
CID 111938985
2-methyl-1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111940907
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111181367

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine (CID 119150879) is 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine is C/N=C(\NCc1ccsc1)NCC1(N(C)C)CCCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
The InChIKey is BHWAXGKDFQFSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-17-15(18-11-14-7-10-21-12-14)19-13-16(20(2)3)8-5-4-6-9-16/h7,10,12H,4-6,8-9,11,13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine?
1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine has a molecular weight of 308.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 119150879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).