1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine

C7H12ClN3S — CID 115260926

IUPAC1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCN(CNN)Cc1ccc(Cl)s1
InChIInChI=1S/C7H12ClN3S/c1-11(5-10-9)4-6-2-3-7(8)12-6/h2-3,10H,4-5,9H2,1H3
InChIKeyPXZGZCNPOFBYMO-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.25
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine

1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine (PubChem CID 115260926) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
PubChem CID115260926
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCN(CNN)Cc1ccc(Cl)s1
InChIInChI=1S/C7H12ClN3S/c1-11(5-10-9)4-6-2-3-7(8)12-6/h2-3,10H,4-5,9H2,1H3
InChIKeyPXZGZCNPOFBYMO-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
CID 61442075
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
CID 79478506
(1R)-N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 112736530
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63584688

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine (CID 115260926) is 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine is CN(CNN)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The InChIKey is PXZGZCNPOFBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3S/c1-11(5-10-9)4-6-2-3-7(8)12-6/h2-3,10H,4-5,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine?
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine has a molecular weight of 205.71 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine is sourced from PubChem (CID 115260926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).