1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine

C17H28FN3 — CID 105243772

IUPAC1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1cc(C(NN)C2(N(C)C)CCCCCC2)ccc1F
InChIInChI=1S/C17H28FN3/c1-13-12-14(8-9-15(13)18)16(20-19)17(21(2)3)10-6-4-5-7-11-17/h8-9,12,16,20H,4-7,10-11,19H2,1-3H3
InChIKeyLLSRRTQTRKGDFA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.29
Rot. Bonds4

About 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine

1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243772) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243772
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1cc(C(NN)C2(N(C)C)CCCCCC2)ccc1F
InChIInChI=1S/C17H28FN3/c1-13-12-14(8-9-15(13)18)16(20-19)17(21(2)3)10-6-4-5-7-11-17/h8-9,12,16,20H,4-7,10-11,19H2,1-3H3
InChIKeyLLSRRTQTRKGDFA-UHFFFAOYSA-N
XLogP3.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106945372
1-[amino-(3,4-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066664
1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611026
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (CID 105243772) is 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is Cc1cc(C(NN)C2(N(C)C)CCCCCC2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is LLSRRTQTRKGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-13-12-14(8-9-15(13)18)16(20-19)17(21(2)3)10-6-4-5-7-11-17/h8-9,12,16,20H,4-7,10-11,19H2,1-3H3.
What are the key properties of 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).