2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride

C13H29Cl2N3O — CID 119896212

IUPAC2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride
SMILESCCCN(CC)CCNC(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-3-8-16(4-2)9-7-15-13(17)11-14-10-12-5-6-12;;/h12,14H,3-11H2,1-2H3,(H,15,17);2*1H
InChIKeyHMYRUTQBRINFQZ-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.68
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride (PubChem CID 119896212) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride
PubChem CID119896212
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride
SMILESCCCN(CC)CCNC(=O)CNCC1CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-3-8-16(4-2)9-7-15-13(17)11-14-10-12-5-6-12;;/h12,14H,3-11H2,1-2H3,(H,15,17);2*1H
InChIKeyHMYRUTQBRINFQZ-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(cyclopropylmethylamino)acetamide
CID 103814322
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 103814955
2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741253
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride (CID 119896212) is 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride is CCCN(CC)CCNC(=O)CNCC1CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride?
The InChIKey is HMYRUTQBRINFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-3-8-16(4-2)9-7-15-13(17)11-14-10-12-5-6-12;;/h12,14H,3-11H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119896212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).