3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide

C14H27N3O — CID 68573075

IUPAC3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide
SMILESC=CCN(C1CCCCC1)N(CC)C(=O)CCN
InChIInChI=1S/C14H27N3O/c1-3-12-17(13-8-6-5-7-9-13)16(4-2)14(18)10-11-15/h3,13H,1,4-12,15H2,2H3
InChIKeyXQMTYTQGZNMFOJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.92
Rot. Bonds7

About 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide

3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide (PubChem CID 68573075) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide.

Molecular Properties

Compound Name3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide
PubChem CID68573075
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide
SMILESC=CCN(C1CCCCC1)N(CC)C(=O)CCN
InChIInChI=1S/C14H27N3O/c1-3-12-17(13-8-6-5-7-9-13)16(4-2)14(18)10-11-15/h3,13H,1,4-12,15H2,2H3
InChIKeyXQMTYTQGZNMFOJ-UHFFFAOYSA-N
XLogP1.92
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide?
The IUPAC name of 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide (CID 68573075) is 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide.
What is the SMILES notation for 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide?
The canonical SMILES for 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide is C=CCN(C1CCCCC1)N(CC)C(=O)CCN.
What is the InChIKey of 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide?
The InChIKey is XQMTYTQGZNMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-12-17(13-8-6-5-7-9-13)16(4-2)14(18)10-11-15/h3,13H,1,4-12,15H2,2H3.
What are the key properties of 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide?
3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide has a molecular weight of 253.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-cyclohexyl-N-ethyl-N'-prop-2-enylpropanehydrazide is sourced from PubChem (CID 68573075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).