1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C18H35N3 — CID 106649218

IUPAC1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(NN)C2=CCCCCCC2)(N(C)C)CC1
InChIInChI=1S/C18H35N3/c1-15-11-13-18(14-12-15,21(2)3)17(20-19)16-9-7-5-4-6-8-10-16/h9,15,17,20H,4-8,10-14,19H2,1-3H3
InChIKeyWJEROLKTMKHTBB-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.61
Rot. Bonds4

About 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 106649218) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID106649218
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(NN)C2=CCCCCCC2)(N(C)C)CC1
InChIInChI=1S/C18H35N3/c1-15-11-13-18(14-12-15,21(2)3)17(20-19)16-9-7-5-4-6-8-10-16/h9,15,17,20H,4-8,10-14,19H2,1-3H3
InChIKeyWJEROLKTMKHTBB-UHFFFAOYSA-N
XLogP3.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649217
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714
1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243404
[cycloocten-1-yl-(1-methylcyclopropyl)methyl]hydrazine
CID 106649341
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106649202
[cyclohepten-1-yl-(1-ethylcyclopentyl)methyl]hydrazine
CID 106650394
[cycloocten-1-yl-(1-methoxycycloheptyl)methyl]hydrazine
CID 106649647
[cycloocten-1-yl-(3-methylcyclopentyl)methyl]hydrazine
CID 106649073
[cyclohexen-1-yl-(1-ethoxy-3-methylcyclohexyl)methyl]hydrazine
CID 106649638
1-[cycloheptyl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243452
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
2-(cycloocten-1-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 106649237

Frequently Asked Questions

What is the IUPAC name of 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 106649218) is 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(NN)C2=CCCCCCC2)(N(C)C)CC1.
What is the InChIKey of 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is WJEROLKTMKHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15-11-13-18(14-12-15,21(2)3)17(20-19)16-9-7-5-4-6-8-10-16/h9,15,17,20H,4-8,10-14,19H2,1-3H3.
What are the key properties of 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 106649218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).