butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate

C12H26N2O2 — CID 150956577

IUPACbutyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-10-16-11(15)14(5)9-8-13-12(2,3)4/h13H,6-10H2,1-5H3
InChIKeyLLFDHKFRMIGUME-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.24
Rot. Bonds6

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

butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate (PubChem CID 150956577) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate
PubChem CID150956577
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namebutyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-10-16-11(15)14(5)9-8-13-12(2,3)4/h13H,6-10H2,1-5H3
InChIKeyLLFDHKFRMIGUME-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl N-methyl-N-propylcarbamate
CID 58662040
undecyl N-methyl-N-pentylcarbamate
CID 54297307
pentyl N,N-dimethylcarbamate
CID 18534522
hexyl 3-(tert-butylamino)propanoate
CID 61301914
butyl N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-methylcarbamate
CID 54054182
dotriacontyl N,N-dimethylcarbamate
CID 175802283
heptyl N,N-dimethylcarbamate
CID 91542338
tert-butyl N-[2-[8-(tert-butylcarbamoylamino)octoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 169035406
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
CID 62594005
N-tert-butyl-N'-methyl-N'-nonylethane-1,2-diamine
CID 63526984
ethyl N-methyl-N-octylcarbamate
CID 15790108

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate?
The IUPAC name of butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate (CID 150956577) is butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate is CCCCOC(=O)N(C)CCNC(C)(C)C.
What is the InChIKey of butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate?
The InChIKey is LLFDHKFRMIGUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-10-16-11(15)14(5)9-8-13-12(2,3)4/h13H,6-10H2,1-5H3.
What are the key properties of butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate?
butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate has a molecular weight of 230.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 150956577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).