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

C18H38N2O2 — CID 107445776

IUPACtert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
SMILESCCC(C)CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O2/c1-10-14(2)13-15(3)19-11-12-20(17(4,5)6)16(21)22-18(7,8)9/h14-15,19H,10-13H2,1-9H3
InChIKeyWUUVMGZLKNOFAI-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.44
Rot. Bonds7

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

tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate (PubChem CID 107445776) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
PubChem CID107445776
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Nametert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
SMILESCCC(C)CC(C)NCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O2/c1-10-14(2)13-15(3)19-11-12-20(17(4,5)6)16(21)22-18(7,8)9/h14-15,19H,10-13H2,1-9H3
InChIKeyWUUVMGZLKNOFAI-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039
tert-butyl N-tert-butyl-N-[2-(1-methylsulfanylbutan-2-ylamino)ethyl]carbamate
CID 107446166
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
CID 106023012
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-tert-butyl-N-[2-[(4-hydroxy-2-methylbutyl)amino]ethyl]carbamate
CID 107445802
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-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl N-tert-butyl-N-[2-[1-(1,3-thiazol-2-yl)propylamino]ethyl]carbamate
CID 107445705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate (CID 107445776) is tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate is CCC(C)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-methylhexan-2-ylamino)ethyl]carbamate?
The InChIKey is WUUVMGZLKNOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-10-14(2)13-15(3)19-11-12-20(17(4,5)6)16(21)22-18(7,8)9/h14-15,19H,10-13H2,1-9H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate has a molecular weight of 314.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107445776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).