1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C16H28N4O — CID 105243737

IUPAC1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCOc1cncc(C(NN)C2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C16H28N4O/c1-12-6-5-7-16(9-12,20(2)3)15(19-17)13-8-14(21-4)11-18-10-13/h8,10-12,15,19H,5-7,9,17H2,1-4H3
InChIKeySSNKHJXXBIDEQP-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds5

About 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243737) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243737
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCOc1cncc(C(NN)C2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C16H28N4O/c1-12-6-5-7-16(9-12,20(2)3)15(19-17)13-8-14(21-4)11-18-10-13/h8,10-12,15,19H,5-7,9,17H2,1-4H3
InChIKeySSNKHJXXBIDEQP-UHFFFAOYSA-N
XLogP2.11
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243573
3-[[1-(dimethylamino)-3-methylcyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243736
1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074760
1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 114657103
[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
[(1-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330488
1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767893
[(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105329724

Frequently Asked Questions

What is the IUPAC name of 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243737) is 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is COc1cncc(C(NN)C2(N(C)C)CCCC(C)C2)c1.
What is the InChIKey of 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is SSNKHJXXBIDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-6-5-7-16(9-12,20(2)3)15(19-17)13-8-14(21-4)11-18-10-13/h8,10-12,15,19H,5-7,9,17H2,1-4H3.
What are the key properties of 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).