3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine

C13H25N3S — CID 105241697

IUPAC3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(NN)c1ccc(C)s1)N(C)C
InChIInChI=1S/C13H25N3S/c1-6-13(7-2,16(4)5)12(15-14)11-9-8-10(3)17-11/h8-9,12,15H,6-7,14H2,1-5H3
InChIKeyBNSRKLANJGWHIC-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.68
Rot. Bonds6

About 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine

3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine (PubChem CID 105241697) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
PubChem CID105241697
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(NN)c1ccc(C)s1)N(C)C
InChIInChI=1S/C13H25N3S/c1-6-13(7-2,16(4)5)12(15-14)11-9-8-10(3)17-11/h8-9,12,15H,6-7,14H2,1-5H3
InChIKeyBNSRKLANJGWHIC-UHFFFAOYSA-N
XLogP2.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79062272
N,N-diethyl-1-hydrazinyl-2-methyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 105239251
[2,2-difluoro-1-(5-methylthiophen-2-yl)propyl]hydrazine
CID 130691531
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79067555
2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
CID 79061093
1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 79053612
2-hydrazinyl-N,N-dimethyl-2-(5-methylthiophen-2-yl)ethanamine
CID 105244702
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
CID 105241879
[2-methyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylpropyl]hydrazine
CID 105239553
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine
CID 105241851

Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine?
The IUPAC name of 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine (CID 105241697) is 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine?
The canonical SMILES for 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine is CCC(CC)(C(NN)c1ccc(C)s1)N(C)C.
What is the InChIKey of 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine?
The InChIKey is BNSRKLANJGWHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-13(7-2,16(4)5)12(15-14)11-9-8-10(3)17-11/h8-9,12,15H,6-7,14H2,1-5H3.
What are the key properties of 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine?
3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine has a molecular weight of 255.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 105241697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).