tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate

C15H32N2O3 — CID 107248510

IUPACtert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
SMILESCCC(CC)(CO)CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-7-15(8-2,11-18)10-17-12(3)9-16-13(19)20-14(4,5)6/h12,17-18H,7-11H2,1-6H3,(H,16,19)
InChIKeyWYNBRZFLBIYDDH-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.29
Rot. Bonds8

About tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate

tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate (PubChem CID 107248510) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
PubChem CID107248510
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
SMILESCCC(CC)(CO)CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-7-15(8-2,11-18)10-17-12(3)9-16-13(19)20-14(4,5)6/h12,17-18H,7-11H2,1-6H3,(H,16,19)
InChIKeyWYNBRZFLBIYDDH-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-[(2-methyl-2-phenylpropyl)amino]propyl]carbamate
CID 103389357
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate (CID 107248510) is tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate is CCC(CC)(CO)CNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate?
The InChIKey is WYNBRZFLBIYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-7-15(8-2,11-18)10-17-12(3)9-16-13(19)20-14(4,5)6/h12,17-18H,7-11H2,1-6H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate?
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate has a molecular weight of 288.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate is sourced from PubChem (CID 107248510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).