tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate

C13H28N2O3 — CID 177165259

IUPACtert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate
SMILESCCN(CCCCO)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-5-15(9-6-7-11-16)10-8-14-12(17)18-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,17)
InChIKeyHNGKDUYZNXOZBK-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.61
Rot. Bonds8

About tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate

tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate (PubChem CID 177165259) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate
PubChem CID177165259
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nametert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate
SMILESCCN(CCCCO)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-5-15(9-6-7-11-16)10-8-14-12(17)18-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,17)
InChIKeyHNGKDUYZNXOZBK-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.61
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-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
tert-butyl N-[2-(diheptylamino)ethyl]carbamate
CID 86645270
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-(4-hydroxybutyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 11237430
tert-butyl N-[3-[[N-[3-(diethylamino)propyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885828
3-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 71722610
2-[carboxymethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetic acid
CID 141486592
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897
tert-butyl N-[3-[3-cyanopropyl-[4-[3-cyanopropyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 11092722
tert-butyl N-[3-[3-aminopropyl(propyl)amino]propyl]carbamate
CID 170082175
tert-butyl N-[3-[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]propyl]carbamate
CID 111887623
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate (CID 177165259) is tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate is CCN(CCCCO)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate?
The InChIKey is HNGKDUYZNXOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-15(9-6-7-11-16)10-8-14-12(17)18-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate?
tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate has a molecular weight of 260.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate is sourced from PubChem (CID 177165259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).