1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine

C14H23N3S — CID 75378438

IUPAC1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine
SMILESCCc1ccsc1C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H23N3S/c1-2-11-8-9-18-13(11)10-16-14(15)17-12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H3,15,16,17)
InChIKeyZVWRIPPATVOLHA-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine

1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine (PubChem CID 75378438) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine
PubChem CID75378438
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine
SMILESCCc1ccsc1C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H23N3S/c1-2-11-8-9-18-13(11)10-16-14(15)17-12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H3,15,16,17)
InChIKeyZVWRIPPATVOLHA-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.05
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

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
4-(2,5-Dimethylthiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127052655
6-(2,5-Dimethyl-3-thienyl)-1,6-dihydropyrimidine
CID 3604667
n-((3-Methylthiophen-2-yl)methyl)heptan-2-amine
CID 16259083
N-cyclopropyl-N'-[2-(thiophen-2-yl)ethyl]guanidine
CID 51130752
1-(Diaminomethylidene)-3-(2-phenylethyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 53308101
2-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-diethylguanidine
CID 52504091
N'-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
CID 53555581
1-Cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 75532788
2-methyl-1-(2-piperidin-1-ylethyl)-3-[(1S)-1-thiophen-2-ylethyl]guanidine
CID 97317002
1-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 97787856

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine (CID 75378438) is 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine is CCc1ccsc1C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine?
The InChIKey is ZVWRIPPATVOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-11-8-9-18-13(11)10-16-14(15)17-12-6-4-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine?
1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine has a molecular weight of 265.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3-ethylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 75378438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).