tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate

C16H34N2O3 — CID 107446039

IUPACtert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
SMILESCC(O)CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-12(11-13(2)19)17-9-10-18(15(3,4)5)14(20)21-16(6,7)8/h12-13,17,19H,9-11H2,1-8H3
InChIKeyABLICXOOILVGPX-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.77
Rot. Bonds6

About tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate (PubChem CID 107446039) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
PubChem CID107446039
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
SMILESCC(O)CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-12(11-13(2)19)17-9-10-18(15(3,4)5)14(20)21-16(6,7)8/h12-13,17,19H,9-11H2,1-8H3
InChIKeyABLICXOOILVGPX-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(1-methylsulfanylbutan-2-ylamino)ethyl]carbamate
CID 107446166
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
CID 106023012
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]carbamate
CID 107446284
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
CID 107444710
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate (CID 107446039) is tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate is CC(O)CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate?
The InChIKey is ABLICXOOILVGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-12(11-13(2)19)17-9-10-18(15(3,4)5)14(20)21-16(6,7)8/h12-13,17,19H,9-11H2,1-8H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.77, 6 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-(4-hydroxypentan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107446039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).