tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate

C18H38N2O2 — CID 107252599

IUPACtert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
SMILESCCC(CC)CNC(C)(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C18H38N2O2/c1-9-15(10-2)12-20-18(8,11-14(3)4)13-19-16(21)22-17(5,6)7/h14-15,20H,9-13H2,1-8H3,(H,19,21)
InChIKeyDNBRMNPFNGJQAB-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.34
Rot. Bonds9

About tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate

tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate (PubChem CID 107252599) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
PubChem CID107252599
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Nametert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
SMILESCCC(CC)CNC(C)(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C18H38N2O2/c1-9-15(10-2)12-20-18(8,11-14(3)4)13-19-16(21)22-17(5,6)7/h14-15,20H,9-13H2,1-8H3,(H,19,21)
InChIKeyDNBRMNPFNGJQAB-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
CID 129413596
tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate
CID 107252592
tert-butyl N-[2-[(4-chlorothiophen-2-yl)methylamino]-2,4-dimethylpentyl]carbamate
CID 107252602
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
tert-butyl N-[4-ethyl-2-(hydroxymethyl)-2-propylhexyl]carbamate
CID 106507447
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)hexanoic acid
CID 107896046
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid
CID 106489172

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate (CID 107252599) is tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate is CCC(CC)CNC(C)(CNC(=O)OC(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate?
The InChIKey is DNBRMNPFNGJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-9-15(10-2)12-20-18(8,11-14(3)4)13-19-16(21)22-17(5,6)7/h14-15,20H,9-13H2,1-8H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate?
tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate has a molecular weight of 314.51 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate is sourced from PubChem (CID 107252599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).