tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate

C13H28N2O3 — CID 103390810

IUPACtert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
SMILESCC(O)CC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-9(7-11(3)16)15-10(2)8-14-12(17)18-13(4,5)6/h9-11,15-16H,7-8H2,1-6H3,(H,14,17)
InChIKeyNLYZHBPCQJKICH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.65
Rot. Bonds6

About tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate

tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate (PubChem CID 103390810) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
PubChem CID103390810
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nametert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
SMILESCC(O)CC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-9(7-11(3)16)15-10(2)8-14-12(17)18-13(4,5)6/h9-11,15-16H,7-8H2,1-6H3,(H,14,17)
InChIKeyNLYZHBPCQJKICH-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
CID 103390979
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate (CID 103390810) is tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate is CC(O)CC(C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate?
The InChIKey is NLYZHBPCQJKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-9(7-11(3)16)15-10(2)8-14-12(17)18-13(4,5)6/h9-11,15-16H,7-8H2,1-6H3,(H,14,17).
What are the key properties of tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate?
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate has a molecular weight of 260.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103390810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).