tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate

C14H28N4O3 — CID 118033759

IUPACtert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate
SMILESCN(C)C(=O)[C@H]1CC[C@H](NN)[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N4O3/c1-14(2,3)21-13(20)16-11-8-9(12(19)18(4)5)6-7-10(11)17-15/h9-11,17H,6-8,15H2,1-5H3,(H,16,20)/t9-,10-,11+/m0/s1
InChIKeyNMRJUGOMMUHNNB-GARJFASQSA-N
MW300.40 g/mol
LogP0.60
Rot. Bonds3

About tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate

tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate (PubChem CID 118033759) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate
PubChem CID118033759
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Nametert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate
SMILESCN(C)C(=O)[C@H]1CC[C@H](NN)[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N4O3/c1-14(2,3)21-13(20)16-11-8-9(12(19)18(4)5)6-7-10(11)17-15/h9-11,17H,6-8,15H2,1-5H3,(H,16,20)/t9-,10-,11+/m0/s1
InChIKeyNMRJUGOMMUHNNB-GARJFASQSA-N
XLogP0.60
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 46913549
tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-methylcyclohexyl]carbamate
CID 66792219
tert-butyl N-[(1R,2S,5R)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate
CID 124648941
tert-butyl N-[(1S,2R,5R)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate
CID 124705769
[(1R,2R,4S)-4-(dimethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] methanesulfonate
CID 58084194
tert-butyl N-[(1R,2S,5R)-2-azido-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 124647327
tert-butyl N-[(1R,2S,5S)-2-[[3-(4-chlorophenyl)-3-hydroxypropanoyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 59676951
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S,5S)-2-[3-(5-chloro-2-pyridinyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 68980574
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
trans-(3S,4S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 70039647

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate (CID 118033759) is tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate is CN(C)C(=O)[C@H]1CC[C@H](NN)[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate?
The InChIKey is NMRJUGOMMUHNNB-GARJFASQSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-14(2,3)21-13(20)16-11-8-9(12(19)18(4)5)6-7-10(11)17-15/h9-11,17H,6-8,15H2,1-5H3,(H,16,20)/t9-,10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate?
tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S,5S)-5-(dimethylcarbamoyl)-2-hydrazinylcyclohexyl]carbamate is sourced from PubChem (CID 118033759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).