N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride

C13H28ClN3O2 — CID 119642895

IUPACN'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-4-9-15-11(17)7-8-12(18)16-10-13(14,5-2)6-3;/h4-10,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyGFZJYFDWSCNEQY-UHFFFAOYSA-N
MW293.84 g/mol
LogP1.35
Rot. Bonds9

About N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride

N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride (PubChem CID 119642895) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
PubChem CID119642895
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC NameN'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-4-9-15-11(17)7-8-12(18)16-10-13(14,5-2)6-3;/h4-10,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyGFZJYFDWSCNEQY-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119640041
N-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride
CID 119642164
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride?
The IUPAC name of N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride (CID 119642895) is N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride.
What is the SMILES notation for N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride?
The canonical SMILES for N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride is CCCNC(=O)CCC(=O)NCC(N)(CC)CC.Cl.
What is the InChIKey of N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride?
The InChIKey is GFZJYFDWSCNEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-4-9-15-11(17)7-8-12(18)16-10-13(14,5-2)6-3;/h4-10,14H2,1-3H3,(H,15,17)(H,16,18);1H.
What are the key properties of N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride?
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride is sourced from PubChem (CID 119642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).