1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine

C15H27N3S — CID 105243796

IUPAC1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(C(NN)C2(N(C)C)CCCCCC2)s1
InChIInChI=1S/C15H27N3S/c1-12-8-9-13(19-12)14(17-16)15(18(2)3)10-6-4-5-7-11-15/h8-9,14,17H,4-7,10-11,16H2,1-3H3
InChIKeyMDBGUHRTOHVIGD-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.22
Rot. Bonds4

About 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine

1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243796) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243796
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(C(NN)C2(N(C)C)CCCCCC2)s1
InChIInChI=1S/C15H27N3S/c1-12-8-9-13(19-12)14(17-16)15(18(2)3)10-6-4-5-7-11-15/h8-9,14,17H,4-7,10-11,16H2,1-3H3
InChIKeyMDBGUHRTOHVIGD-UHFFFAOYSA-N
XLogP3.22
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.22
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

N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 79066072
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
1-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242356
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
2-hydrazinyl-N,N-dimethyl-2-(5-methylthiophen-2-yl)ethanamine
CID 105244702
3-[[1-(dimethylamino)cyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243374
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216

Frequently Asked Questions

What is the IUPAC name of 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine (CID 105243796) is 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine is Cc1ccc(C(NN)C2(N(C)C)CCCCCC2)s1.
What is the InChIKey of 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is MDBGUHRTOHVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12-8-9-13(19-12)14(17-16)15(18(2)3)10-6-4-5-7-11-15/h8-9,14,17H,4-7,10-11,16H2,1-3H3.
What are the key properties of 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).