3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine

C18H33N3 — CID 105241982

IUPAC3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
SMILESCCN(CC)C(CC)(CC)C(NN)c1cc(C)ccc1C
InChIInChI=1S/C18H33N3/c1-7-18(8-2,21(9-3)10-4)17(20-19)16-13-14(5)11-12-15(16)6/h11-13,17,20H,7-10,19H2,1-6H3
InChIKeyACERGRQJNRQRQU-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.71
Rot. Bonds8

About 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine

3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine (PubChem CID 105241982) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
PubChem CID105241982
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
SMILESCCN(CC)C(CC)(CC)C(NN)c1cc(C)ccc1C
InChIInChI=1S/C18H33N3/c1-7-18(8-2,21(9-3)10-4)17(20-19)16-13-14(5)11-12-15(16)6/h11-13,17,20H,7-10,19H2,1-6H3
InChIKeyACERGRQJNRQRQU-UHFFFAOYSA-N
XLogP3.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.71
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

3-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
CID 105241954
N,N-diethyl-1-(2-fluoro-5-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240808
1-(2,5-dimethylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069136
[1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropyl]hydrazine
CID 105223593
N,N,3-triethyl-2-hydrazinyl-1-(4-methylphenyl)pentan-3-amine
CID 105242041
1-N,2-N,2-N,2-tetraethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79060138
1-(2,5-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240811
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053319
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine?
The IUPAC name of 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine (CID 105241982) is 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine is CCN(CC)C(CC)(CC)C(NN)c1cc(C)ccc1C.
What is the InChIKey of 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine?
The InChIKey is ACERGRQJNRQRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-18(8-2,21(9-3)10-4)17(20-19)16-13-14(5)11-12-15(16)6/h11-13,17,20H,7-10,19H2,1-6H3.
What are the key properties of 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine?
3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine has a molecular weight of 291.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine is sourced from PubChem (CID 105241982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).