tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate

C14H31N3O3 — CID 107245084

IUPACtert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate
SMILESCOCC(CCCN)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-14(2,3)20-13(18)17(4)10-9-16-12(11-19-5)7-6-8-15/h12,16H,6-11,15H2,1-5H3
InChIKeyWMOMANNQZWSLFB-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.20
Rot. Bonds9

About tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate (PubChem CID 107245084) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate
PubChem CID107245084
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Nametert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate
SMILESCOCC(CCCN)NCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-14(2,3)20-13(18)17(4)10-9-16-12(11-19-5)7-6-8-15/h12,16H,6-11,15H2,1-5H3
InChIKeyWMOMANNQZWSLFB-UHFFFAOYSA-N
XLogP1.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate (CID 107245084) is tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate is COCC(CCCN)NCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate?
The InChIKey is WMOMANNQZWSLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-14(2,3)20-13(18)17(4)10-9-16-12(11-19-5)7-6-8-15/h12,16H,6-11,15H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate has a molecular weight of 289.42 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 107245084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).