3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide

C14H29N3O — CID 79631547

IUPAC3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
SMILESCCC1CCC(N(C)CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C14H29N3O/c1-5-11-6-8-12(9-7-11)17(4)10-14(2,3)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyASIZEHGFPBQUIW-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.90
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide

3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide (PubChem CID 79631547) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
PubChem CID79631547
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
SMILESCCC1CCC(N(C)CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C14H29N3O/c1-5-11-6-8-12(9-7-11)17(4)10-14(2,3)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyASIZEHGFPBQUIW-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide (CID 79631547) is 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide is CCC1CCC(N(C)CC(C)(C)C(=O)NN)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide?
The InChIKey is ASIZEHGFPBQUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-11-6-8-12(9-7-11)17(4)10-14(2,3)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide?
3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide has a molecular weight of 255.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).