methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate

C12H26N2O2 — CID 142741327

IUPACmethyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
SMILESCOC(=O)N(CCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)13-8-9-14(10(15)16-7)12(4,5)6/h13H,8-9H2,1-7H3
InChIKeyAQCIRKYZIJKDDM-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.24
Rot. Bonds3

About methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate

methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate (PubChem CID 142741327) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
PubChem CID142741327
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
SMILESCOC(=O)N(CCNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)13-8-9-14(10(15)16-7)12(4,5)6/h13H,8-9H2,1-7H3
InChIKeyAQCIRKYZIJKDDM-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
methyl N-(2-bromoethyl)-N-tert-butylcarbamate
CID 57482630
methyl N-tert-butyl-N-(3-oxopropyl)carbamate
CID 175088328
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methylbut-3-yn-2-ylamino)ethyl]carbamate
CID 107445680
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate
CID 178179531
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
CID 145349487
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261

Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate?
The IUPAC name of methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate (CID 142741327) is methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate?
The canonical SMILES for methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate is COC(=O)N(CCNC(C)(C)C)C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate?
The InChIKey is AQCIRKYZIJKDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)13-8-9-14(10(15)16-7)12(4,5)6/h13H,8-9H2,1-7H3.
What are the key properties of methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate?
methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate is sourced from PubChem (CID 142741327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).