tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate

C15H33N3O3 — CID 102730097

IUPACtert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
SMILESCCOCCN(CC)C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O3/c1-7-18(9-10-20-8-2)13(11-16)12(3)17-14(19)21-15(4,5)6/h12-13H,7-11,16H2,1-6H3,(H,17,19)
InChIKeyMLLVYSQBNBEHFS-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.59
Rot. Bonds9

About tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate

tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate (PubChem CID 102730097) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
PubChem CID102730097
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Nametert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
SMILESCCOCCN(CC)C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O3/c1-7-18(9-10-20-8-2)13(11-16)12(3)17-14(19)21-15(4,5)6/h12-13H,7-11,16H2,1-6H3,(H,17,19)
InChIKeyMLLVYSQBNBEHFS-UHFFFAOYSA-N
XLogP1.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760
tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
CID 130834870
methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 101356131
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
CID 102729964
ethyl (4S)-3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130293337
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417
(2S)-4-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 129370818
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate (CID 102730097) is tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate is CCOCCN(CC)C(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate?
The InChIKey is MLLVYSQBNBEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O3/c1-7-18(9-10-20-8-2)13(11-16)12(3)17-14(19)21-15(4,5)6/h12-13H,7-11,16H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate has a molecular weight of 303.45 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 102730097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).