N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride

C13H28ClN3O2 — CID 119668224

IUPACN'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCCC(=O)NCC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-3-5-7-11(10-14)16-13(18)9-6-8-12(17)15-4-2;/h11H,3-10,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyMERWHBMBLSPYMU-UHFFFAOYSA-N
MW293.84 g/mol
LogP1.35
Rot. Bonds10

About N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride

N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride (PubChem CID 119668224) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
PubChem CID119668224
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC NameN'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCCC(=O)NCC.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-3-5-7-11(10-14)16-13(18)9-6-8-12(17)15-4-2;/h11H,3-10,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyMERWHBMBLSPYMU-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
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

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N-octan-4-ylpentanamide
CID 91803774
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CID 119668001
N-[4-(1-aminohexan-2-ylamino)-4-oxobutyl]benzamide
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N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-(1-aminohexan-2-yl)-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119668327
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119665633
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119666894
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982

Frequently Asked Questions

What is the IUPAC name of N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride?
The IUPAC name of N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride (CID 119668224) is N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride.
What is the SMILES notation for N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride?
The canonical SMILES for N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride is CCCCC(CN)NC(=O)CCCC(=O)NCC.Cl.
What is the InChIKey of N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride?
The InChIKey is MERWHBMBLSPYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-3-5-7-11(10-14)16-13(18)9-6-8-12(17)15-4-2;/h11H,3-10,14H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride?
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 1.35, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride is sourced from PubChem (CID 119668224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).