tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate

C15H32N2O2 — CID 103780595

IUPACtert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
SMILESCC(C)CCC(C)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-12(2)8-9-13(3)16-10-11-17(7)14(18)19-15(4,5)6/h12-13,16H,8-11H2,1-7H3
InChIKeyNRYSHHHBVMRUFJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.27
Rot. Bonds7

About tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate (PubChem CID 103780595) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
PubChem CID103780595
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
SMILESCC(C)CCC(C)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-12(2)8-9-13(3)16-10-11-17(7)14(18)19-15(4,5)6/h12-13,16H,8-11H2,1-7H3
InChIKeyNRYSHHHBVMRUFJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
CID 103780550
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780582

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate (CID 103780595) is tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate is CC(C)CCC(C)NCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate?
The InChIKey is NRYSHHHBVMRUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-12(2)8-9-13(3)16-10-11-17(7)14(18)19-15(4,5)6/h12-13,16H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 103780595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).