tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate

C14H31N3O3 — CID 102730394

IUPACtert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
SMILESCOCCN(C(C)C)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-11(2)17(7-8-19-6)12(9-15)10-16-13(18)20-14(3,4)5/h11-12H,7-10,15H2,1-6H3,(H,16,18)
InChIKeyOTUSUHFKUKETLK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.20
Rot. Bonds8

About tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate

tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate (PubChem CID 102730394) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
PubChem CID102730394
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Nametert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
SMILESCOCCN(C(C)C)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-11(2)17(7-8-19-6)12(9-15)10-16-13(18)20-14(3,4)5/h11-12H,7-10,15H2,1-6H3,(H,16,18)
InChIKeyOTUSUHFKUKETLK-UHFFFAOYSA-N
XLogP1.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
CID 82948851
tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[3-amino-2-[methyl(2-phenylmethoxyethyl)amino]propyl]carbamate
CID 131008134
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate (CID 102730394) is tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate is COCCN(C(C)C)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate?
The InChIKey is OTUSUHFKUKETLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-11(2)17(7-8-19-6)12(9-15)10-16-13(18)20-14(3,4)5/h11-12H,7-10,15H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate has a molecular weight of 289.42 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 102730394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).