tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride

C19H28Cl2N4O4 — CID 68804908

IUPACtert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)N(CCOc1ccccn1)C(N)COc1ccccn1.Cl.Cl
InChIInChI=1S/C19H26N4O4.2ClH/c1-19(2,3)27-18(24)23(12-13-25-16-8-4-6-10-21-16)15(20)14-26-17-9-5-7-11-22-17;;/h4-11,15H,12-14,20H2,1-3H3;2*1H
InChIKeyRPGNSOBJGUMMPC-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.30
Rot. Bonds8

About tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride

tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride (PubChem CID 68804908) has the molecular formula C19H28Cl2N4O4 and a molecular weight of 447.36 g/mol. Its IUPAC name is tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride
PubChem CID68804908
Molecular FormulaC19H28Cl2N4O4
Molecular Weight447.36 g/mol
Exact Mass446.15
IUPAC Nametert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)N(CCOc1ccccn1)C(N)COc1ccccn1.Cl.Cl
InChIInChI=1S/C19H26N4O4.2ClH/c1-19(2,3)27-18(24)23(12-13-25-16-8-4-6-10-21-16)15(20)14-26-17-9-5-7-11-22-17;;/h4-11,15H,12-14,20H2,1-3H3;2*1H
InChIKeyRPGNSOBJGUMMPC-UHFFFAOYSA-N
XLogP3.30
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 45831880
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CID 45831893
CID 45831893
CID 45832882
CID 45832882
CID 48114508
CID 48114508
CID 51051694
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CID 53516807
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CID 172435808
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CID 24902673
CID 24902673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride?
The IUPAC name of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride (CID 68804908) is tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride.
What is the SMILES notation for tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride?
The canonical SMILES for tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride is CC(C)(C)OC(=O)N(CCOc1ccccn1)C(N)COc1ccccn1.Cl.Cl.
What is the InChIKey of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride?
The InChIKey is RPGNSOBJGUMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4.2ClH/c1-19(2,3)27-18(24)23(12-13-25-16-8-4-6-10-21-16)15(20)14-26-17-9-5-7-11-22-17;;/h4-11,15H,12-14,20H2,1-3H3;2*1H.
What are the key properties of tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride?
tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride has a molecular weight of 447.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-2-pyridin-2-yloxyethyl)-N-(2-pyridin-2-yloxyethyl)carbamate;dihydrochloride is sourced from PubChem (CID 68804908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).