tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate

C18H36N2O3 — CID 106359667

IUPACtert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CCCCC1CO)C(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-17(2,3)20(16(22)23-18(4,5)6)12-11-19-15-10-8-7-9-14(15)13-21/h14-15,19,21H,7-13H2,1-6H3
InChIKeyKACBPQJQSSLIJQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate (PubChem CID 106359667) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
PubChem CID106359667
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CCCCC1CO)C(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-17(2,3)20(16(22)23-18(4,5)6)12-11-19-15-10-8-7-9-14(15)13-21/h14-15,19,21H,7-13H2,1-6H3
InChIKeyKACBPQJQSSLIJQ-UHFFFAOYSA-N
XLogP3.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
CID 107445874
[2-[2-(dimethylamino)ethylamino]cyclohexyl]methanol
CID 104934564
tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
CID 107444815
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl 4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 103766002
tert-butyl 3-[(2-ethylcyclohexyl)amino]propanoate
CID 103960953

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate (CID 106359667) is tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNC1CCCCC1CO)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate?
The InChIKey is KACBPQJQSSLIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-17(2,3)20(16(22)23-18(4,5)6)12-11-19-15-10-8-7-9-14(15)13-21/h14-15,19,21H,7-13H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate is sourced from PubChem (CID 106359667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).