1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C17H29N3O — CID 105243573

IUPAC1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCOc1ccccc1C(NN)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H29N3O/c1-13-8-7-11-17(12-13,20(2)3)16(19-18)14-9-5-6-10-15(14)21-4/h5-6,9-10,13,16,19H,7-8,11-12,18H2,1-4H3
InChIKeyNQKVXWQTTKDJRV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.71
Rot. Bonds5

About 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 105243573) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID105243573
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCOc1ccccc1C(NN)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H29N3O/c1-13-8-7-11-17(12-13,20(2)3)16(19-18)14-9-5-6-10-15(14)21-4/h5-6,9-10,13,16,19H,7-8,11-12,18H2,1-4H3
InChIKeyNQKVXWQTTKDJRV-UHFFFAOYSA-N
XLogP2.71
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.71
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

1-[(2-fluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243618
1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243737
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
3-[[1-(dimethylamino)-3-methylcyclohexyl]-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105243736
1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063225
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
1-[(4-methoxy-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 114657103
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[2-(2-fluorophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243637
[1-(1-methoxy-3-methylcyclohexyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105277634
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189

Frequently Asked Questions

What is the IUPAC name of 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 105243573) is 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is COc1ccccc1C(NN)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is NQKVXWQTTKDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-8-7-11-17(12-13,20(2)3)16(19-18)14-9-5-6-10-15(14)21-4/h5-6,9-10,13,16,19H,7-8,11-12,18H2,1-4H3.
What are the key properties of 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydrazinyl-(2-methoxyphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).