1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

C12H19N3S — CID 111349588

IUPAC1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCCc1cccs1)NCC1CC1
InChIInChI=1S/C12H19N3S/c1-13-12(15-9-10-4-5-10)14-7-6-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H2,13,14,15)
InChIKeyKWTILPMJFGONLG-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.87
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111349588) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID111349588
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(/NCCc1cccs1)NCC1CC1
InChIInChI=1S/C12H19N3S/c1-13-12(15-9-10-4-5-10)14-7-6-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H2,13,14,15)
InChIKeyKWTILPMJFGONLG-UHFFFAOYSA-N
XLogP1.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.87
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

2-methyl-1-[(1-phenylpyrrolidin-3-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351087
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111830991
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350447
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111863259
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766480
1-(4,4-dimethylpentyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111638024
2-cyclohexyl-N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111351459
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111644435
1-(2-ethoxyethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349597
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111870022
1-[2-(5-iodothiophen-2-yl)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349158
1-benzyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 110954188

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (CID 111349588) is 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is C/N=C(/NCCc1cccs1)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is KWTILPMJFGONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-12(15-9-10-4-5-10)14-7-6-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H2,13,14,15).
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 237.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111349588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).