N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride

C11H25Cl2N3O — CID 119382789

IUPACN-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
SMILESCC(C(=O)NCCN)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-10(11(15)13-7-6-12)14-8-4-2-3-5-9-14;;/h10H,2-9,12H2,1H3,(H,13,15);2*1H
InChIKeyBEEWMTGCJUEMAE-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.17
Rot. Bonds4

About N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride

N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride (PubChem CID 119382789) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
PubChem CID119382789
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC NameN-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
SMILESCC(C(=O)NCCN)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-10(11(15)13-7-6-12)14-8-4-2-3-5-9-14;;/h10H,2-9,12H2,1H3,(H,13,15);2*1H
InChIKeyBEEWMTGCJUEMAE-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride
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N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
2-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)propanamide
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(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
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2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride (CID 119382789) is N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride is CC(C(=O)NCCN)N1CCCCCC1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride?
The InChIKey is BEEWMTGCJUEMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-10(11(15)13-7-6-12)14-8-4-2-3-5-9-14;;/h10H,2-9,12H2,1H3,(H,13,15);2*1H.
What are the key properties of N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride?
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119382789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).