ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate

C15H28N2O4 — CID 156823405

IUPACethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-20-13(18)12-8-6-11(7-9-12)10-16-17-14(19)21-15(2,3)4/h11-12,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyYFWHUHZMUPFULX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.39
Rot. Bonds5

About ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate

ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate (PubChem CID 156823405) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
PubChem CID156823405
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-20-13(18)12-8-6-11(7-9-12)10-16-17-14(19)21-15(2,3)4/h11-12,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyYFWHUHZMUPFULX-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-(cyclobutylmethylamino)carbamate
CID 58693863
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
CID 107237353
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
CID 170913628
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate (CID 156823405) is ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate?
The InChIKey is YFWHUHZMUPFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-20-13(18)12-8-6-11(7-9-12)10-16-17-14(19)21-15(2,3)4/h11-12,16H,5-10H2,1-4H3,(H,17,19).
What are the key properties of ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate?
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 156823405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).