1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine

C19H35N5S — CID 111567609

IUPAC1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
SMILESCCC1CCCCN1CCN/C(=N/C)NCC(c1cccs1)N(C)C
InChIInChI=1S/C19H35N5S/c1-5-16-9-6-7-12-24(16)13-11-21-19(20-2)22-15-17(23(3)4)18-10-8-14-25-18/h8,10,14,16-17H,5-7,9,11-13,15H2,1-4H3,(H2,20,21,22)
InChIKeyLVDRJJTYSGZYRV-UHFFFAOYSA-N
MW365.59 g/mol
LogP2.78
Rot. Bonds8

About 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine

1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine (PubChem CID 111567609) has the molecular formula C19H35N5S and a molecular weight of 365.59 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
PubChem CID111567609
Molecular FormulaC19H35N5S
Molecular Weight365.59 g/mol
Exact Mass365.26
IUPAC Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
SMILESCCC1CCCCN1CCN/C(=N/C)NCC(c1cccs1)N(C)C
InChIInChI=1S/C19H35N5S/c1-5-16-9-6-7-12-24(16)13-11-21-19(20-2)22-15-17(23(3)4)18-10-8-14-25-18/h8,10,14,16-17H,5-7,9,11-13,15H2,1-4H3,(H2,20,21,22)
InChIKeyLVDRJJTYSGZYRV-UHFFFAOYSA-N
XLogP2.78
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568658
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111028228
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111568786
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
CID 111568351
1-[(1-ethylpiperidin-2-yl)methyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111760059
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568758
N-benzyl-3-[[N-[2-(2-ethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111568195
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394566
1-(cyclopropylmethyl)-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568492
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111248120
1-[2-(2-chlorophenyl)ethyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylguanidine;hydroiodide
CID 111883240
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568768

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine (CID 111567609) is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine is CCC1CCCCN1CCN/C(=N/C)NCC(c1cccs1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine?
The InChIKey is LVDRJJTYSGZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5S/c1-5-16-9-6-7-12-24(16)13-11-21-19(20-2)22-15-17(23(3)4)18-10-8-14-25-18/h8,10,14,16-17H,5-7,9,11-13,15H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine?
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine has a molecular weight of 365.59 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111567609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).