1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine

C18H31N3 — CID 105242617

IUPAC1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(NN)c2ccc(C)cc2C)CCCC1
InChIInChI=1S/C18H31N3/c1-5-21(6-2)18(11-7-8-12-18)17(20-19)16-10-9-14(3)13-15(16)4/h9-10,13,17,20H,5-8,11-12,19H2,1-4H3
InChIKeyUDNGPJQVEVIRCI-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.46
Rot. Bonds6

About 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine

1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 105242617) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
PubChem CID105242617
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(NN)c2ccc(C)cc2C)CCCC1
InChIInChI=1S/C18H31N3/c1-5-21(6-2)18(11-7-8-12-18)17(20-19)16-10-9-14(3)13-15(16)4/h9-10,13,17,20H,5-8,11-12,19H2,1-4H3
InChIKeyUDNGPJQVEVIRCI-UHFFFAOYSA-N
XLogP3.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.46
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-[(3,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine
CID 105242728
N,N-diethyl-1-[(3-fluoro-5-methylphenyl)-hydrazinylmethyl]cyclopentan-1-amine
CID 105242737
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106649202
N,N-diethyl-1-[hydrazinyl-(6-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 105242677
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059138
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
N,N-diethyl-1-[hydrazinyl-(2-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 105242582
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
1-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116958764
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine (CID 105242617) is 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(NN)c2ccc(C)cc2C)CCCC1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is UDNGPJQVEVIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21(6-2)18(11-7-8-12-18)17(20-19)16-10-9-14(3)13-15(16)4/h9-10,13,17,20H,5-8,11-12,19H2,1-4H3.
What are the key properties of 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine?
1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 105242617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).