tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate

C18H34N2O3 — CID 165498413

IUPACtert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
SMILESCN(C1CC(C)(C)C1)C1CC(O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(22)19-14-8-7-13(21)9-15(14)20(6)12-10-18(4,5)11-12/h12-15,21H,7-11H2,1-6H3,(H,19,22)
InChIKeyIXIKKZIBQIHYFB-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate

tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate (PubChem CID 165498413) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
PubChem CID165498413
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
SMILESCN(C1CC(C)(C)C1)C1CC(O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(22)19-14-8-7-13(21)9-15(14)20(6)12-10-18(4,5)11-12/h12-15,21H,7-11H2,1-6H3,(H,19,22)
InChIKeyIXIKKZIBQIHYFB-UHFFFAOYSA-N
XLogP2.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl-[(1R,2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 67056480
tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491681
tert-butyl N-[2-[cyclopropyl(2-methylpropyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491693
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
tert-butyl N-[2-(2,2-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
CID 165498320
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
CID 151269227
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate (CID 165498413) is tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate is CN(C1CC(C)(C)C1)C1CC(O)CCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate?
The InChIKey is IXIKKZIBQIHYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-17(2,3)23-16(22)19-14-8-7-13(21)9-15(14)20(6)12-10-18(4,5)11-12/h12-15,21H,7-11H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 165498413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).