tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate

C18H36N2O3 — CID 103785652

IUPACtert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
SMILESCOC(C)(C)CC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O3/c1-13(12-18(5,6)22-7)19-14-8-10-15(11-9-14)20-16(21)23-17(2,3)4/h13-15,19H,8-12H2,1-7H3,(H,20,21)
InChIKeyWIHKYAKOALMDGM-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.62
Rot. Bonds6

About tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate (PubChem CID 103785652) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
PubChem CID103785652
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
SMILESCOC(C)(C)CC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O3/c1-13(12-18(5,6)22-7)19-14-8-10-15(11-9-14)20-16(21)23-17(2,3)4/h13-15,19H,8-12H2,1-7H3,(H,20,21)
InChIKeyWIHKYAKOALMDGM-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152
tert-butyl N-[4-(1-ethylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972455
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
CID 107236759
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate (CID 103785652) is tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate is COC(C)(C)CC(C)NC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate?
The InChIKey is WIHKYAKOALMDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-13(12-18(5,6)22-7)19-14-8-10-15(11-9-14)20-16(21)23-17(2,3)4/h13-15,19H,8-12H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103785652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).