tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate

C15H30N2O3 — CID 165497934

IUPACtert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
SMILESCCN(CC)C1CC(O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)13-10-11(18)8-9-12(13)16-14(19)20-15(3,4)5/h11-13,18H,6-10H2,1-5H3,(H,16,19)
InChIKeyHEIDVHQPSXMXOW-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate

tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate (PubChem CID 165497934) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
PubChem CID165497934
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
SMILESCCN(CC)C1CC(O)CCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)13-10-11(18)8-9-12(13)16-14(19)20-15(3,4)5/h11-13,18H,6-10H2,1-5H3,(H,16,19)
InChIKeyHEIDVHQPSXMXOW-UHFFFAOYSA-N
XLogP2.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491681
tert-butyl-[(1R,2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamic acid
CID 67056480
tert-butyl N-[2-[cyclopropyl(2-methylpropyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491693
tert-butyl N-[2-[(3,3-dimethylcyclobutyl)-methylamino]-4-hydroxycyclohexyl]carbamate
CID 165498413
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
CID 151269227
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2R)-2-[(2-chloroacetyl)-ethylamino]cyclohexyl]carbamate
CID 96552507
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate (CID 165497934) is tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate is CCN(CC)C1CC(O)CCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate?
The InChIKey is HEIDVHQPSXMXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-17(7-2)13-10-11(18)8-9-12(13)16-14(19)20-15(3,4)5/h11-13,18H,6-10H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate?
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 165497934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).