3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine

C16H29N3O — CID 105241886

IUPAC3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(Cc1ccccc1OC)NN)N(C)C
InChIInChI=1S/C16H29N3O/c1-6-16(7-2,19(3)4)15(18-17)12-13-10-8-9-11-14(13)20-5/h8-11,15,18H,6-7,12,17H2,1-5H3
InChIKeyMFEUWLSDVJIUDS-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.19
Rot. Bonds8

About 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine

3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine (PubChem CID 105241886) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
PubChem CID105241886
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(Cc1ccccc1OC)NN)N(C)C
InChIInChI=1S/C16H29N3O/c1-6-16(7-2,19(3)4)15(18-17)12-13-10-8-9-11-14(13)20-5/h8-11,15,18H,6-7,12,17H2,1-5H3
InChIKeyMFEUWLSDVJIUDS-UHFFFAOYSA-N
XLogP2.19
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine?
The IUPAC name of 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine (CID 105241886) is 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine?
The canonical SMILES for 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine is CCC(CC)(C(Cc1ccccc1OC)NN)N(C)C.
What is the InChIKey of 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine?
The InChIKey is MFEUWLSDVJIUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(7-2,19(3)4)15(18-17)12-13-10-8-9-11-14(13)20-5/h8-11,15,18H,6-7,12,17H2,1-5H3.
What are the key properties of 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine?
3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine has a molecular weight of 279.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 105241886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).