1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine

C16H26FN3 — CID 105243618

IUPAC1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(NN)c2ccccc2F)(N(C)C)C1
InChIInChI=1S/C16H26FN3/c1-12-7-6-10-16(11-12,20(2)3)15(19-18)13-8-4-5-9-14(13)17/h4-5,8-9,12,15,19H,6-7,10-11,18H2,1-3H3
InChIKeyNQTWWIHDWCPWSE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.84
Rot. Bonds4

About 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243618) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243618
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(NN)c2ccccc2F)(N(C)C)C1
InChIInChI=1S/C16H26FN3/c1-12-7-6-10-16(11-12,20(2)3)15(19-18)13-8-4-5-9-14(13)17/h4-5,8-9,12,15,19H,6-7,10-11,18H2,1-3H3
InChIKeyNQTWWIHDWCPWSE-UHFFFAOYSA-N
XLogP2.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.84
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-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063225
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
3-[[1-(dimethylamino)-3-methylcyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243736
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243487
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243846
1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243737
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243618) is 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(NN)c2ccccc2F)(N(C)C)C1.
What is the InChIKey of 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is NQTWWIHDWCPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12-7-6-10-16(11-12,20(2)3)15(19-18)13-8-4-5-9-14(13)17/h4-5,8-9,12,15,19H,6-7,10-11,18H2,1-3H3.
What are the key properties of 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).