tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate

C12H26N2O3 — CID 167200930

IUPACtert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCCCN
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(16)14(9-10-15)8-6-4-5-7-13/h15H,4-10,13H2,1-3H3
InChIKeyMPYBFYDQNDFAJZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.34
Rot. Bonds7

About tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate

tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate (PubChem CID 167200930) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
PubChem CID167200930
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCCCN
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(16)14(9-10-15)8-6-4-5-7-13/h15H,4-10,13H2,1-3H3
InChIKeyMPYBFYDQNDFAJZ-UHFFFAOYSA-N
XLogP1.34
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N,N-bis[2-[7-aminoheptyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 57136668
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N-(4-aminobutyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 10995997
tert-butyl N,N-bis[3-(3-aminopropylamino)propyl]carbamate
CID 102240584
tert-butyl N-(2-hydroxyethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 11849566
tert-butyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 11411236
tert-butyl N-(3-aminopropyl)-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]octyl]amino]hexyl]carbamate
CID 11803452
tert-butyl N-(3-aminopropyl)-N-[4-(methylamino)butyl]carbamate
CID 134854632
tert-butyl N-(7-aminoheptyl)-N-(2-phenylethyl)carbamate
CID 146018002
tert-butyl N-(3-aminopropyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 10958907

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate (CID 167200930) is tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)CCCCCN.
What is the InChIKey of tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is MPYBFYDQNDFAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,3)17-11(16)14(9-10-15)8-6-4-5-7-13/h15H,4-10,13H2,1-3H3.
What are the key properties of tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate?
tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 167200930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).