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

C13H28ClN3O2 — CID 119643328

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

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

N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride (PubChem CID 119643328) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
PubChem CID119643328
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC NameN'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
SMILESCCNC(=O)CCCC(=O)NCC(N)(CC)CC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-4-13(14,5-2)10-16-12(18)9-7-8-11(17)15-6-3;/h4-10,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeyMLKVUIDVCQIXGR-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-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N-(2-amino-2-ethylbutyl)-4-cyclopentylbutanamide;hydrochloride
CID 119644018
1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864
N-(2-amino-2-ethylbutyl)-4-prop-2-enoxybutanamide
CID 119641759
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
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-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025
N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride
CID 119642164
N,N'-diethylnonanediamide
CID 89048639
N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119643263

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride?
The IUPAC name of N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride (CID 119643328) is N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride.
What is the SMILES notation for N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride?
The canonical SMILES for N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride is CCNC(=O)CCCC(=O)NCC(N)(CC)CC.Cl.
What is the InChIKey of N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride?
The InChIKey is MLKVUIDVCQIXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-4-13(14,5-2)10-16-12(18)9-7-8-11(17)15-6-3;/h4-10,14H2,1-3H3,(H,15,17)(H,16,18);1H.
What are the key properties of N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride?
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;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-ethylpentanediamide;hydrochloride is sourced from PubChem (CID 119643328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).