[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride

C13H30Cl2N4O4 — CID 88519806

IUPAC[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride
SMILESCCNC(=O)OCCC(N)(CCN)CCOC(=O)NCC.Cl.Cl
InChIInChI=1S/C13H28N4O4.2ClH/c1-3-16-11(18)20-9-6-13(15,5-8-14)7-10-21-12(19)17-4-2;;/h3-10,14-15H2,1-2H3,(H,16,18)(H,17,19);2*1H
InChIKeyFCURHSAJDGRVFC-UHFFFAOYSA-N
MW377.31 g/mol
LogP1.15
Rot. Bonds10

About [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride

[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride (PubChem CID 88519806) has the molecular formula C13H30Cl2N4O4 and a molecular weight of 377.31 g/mol. Its IUPAC name is [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride.

Molecular Properties

Compound Name[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride
PubChem CID88519806
Molecular FormulaC13H30Cl2N4O4
Molecular Weight377.31 g/mol
Exact Mass376.16
IUPAC Name[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride
SMILESCCNC(=O)OCCC(N)(CCN)CCOC(=O)NCC.Cl.Cl
InChIInChI=1S/C13H28N4O4.2ClH/c1-3-16-11(18)20-9-6-13(15,5-8-14)7-10-21-12(19)17-4-2;;/h3-10,14-15H2,1-2H3,(H,16,18)(H,17,19);2*1H
InChIKeyFCURHSAJDGRVFC-UHFFFAOYSA-N
XLogP1.15
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-3-(2-aminoethyl)-5-(octadecylcarbamoyloxy)pentyl] N-octadecylcarbamate;dihydrochloride
CID 88519803
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 146459167
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
[3-amino-3-(2-aminoethyl)-4-(ethylcarbamoyloxy)pentan-2-yl] N-ethylcarbamate;dihydrochloride
CID 88519807
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-ethylcarbamate
CID 173413650
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
3,3-dimethylbutyl N-propylcarbamate
CID 153156945
2-(2-methylpropylamino)ethyl N-ethylcarbamate
CID 138728445
azane;ethyl N-ethylcarbamate
CID 88547448
2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
[3-amino-3-(aminomethyl)-4-(ethylcarbamoyloxy)pentan-2-yl] N-ethylcarbamate;dihydrochloride
CID 88519817

Frequently Asked Questions

What is the IUPAC name of [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride?
The IUPAC name of [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride (CID 88519806) is [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride.
What is the SMILES notation for [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride?
The canonical SMILES for [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride is CCNC(=O)OCCC(N)(CCN)CCOC(=O)NCC.Cl.Cl.
What is the InChIKey of [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride?
The InChIKey is FCURHSAJDGRVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O4.2ClH/c1-3-16-11(18)20-9-6-13(15,5-8-14)7-10-21-12(19)17-4-2;;/h3-10,14-15H2,1-2H3,(H,16,18)(H,17,19);2*1H.
What are the key properties of [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride?
[3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride has a molecular weight of 377.31 g/mol, XLogP of 1.15, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-3-(2-aminoethyl)-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;dihydrochloride is sourced from PubChem (CID 88519806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).