N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride

C12H26ClN3O2 — CID 119382280

IUPACN-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCC(=O)NCCN.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-3-9-15(10-4-2)12(17)6-5-11(16)14-8-7-13;/h3-10,13H2,1-2H3,(H,14,16);1H
InChIKeyBGOXBXQONAXWQR-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.91
Rot. Bonds9

About N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride

N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride (PubChem CID 119382280) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
PubChem CID119382280
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC NameN-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCC(=O)NCCN.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-3-9-15(10-4-2)12(17)6-5-11(16)14-8-7-13;/h3-10,13H2,1-2H3,(H,14,16);1H
InChIKeyBGOXBXQONAXWQR-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143117924
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
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4-amino-N,N-dipropylbutanamide
CID 12835718
N',N'-bis(3-aminopropyl)-N-[3-[3-[[4-[bis(3-aminopropyl)amino]-4-oxobutanoyl]amino]propyl-(4-oxopentanoyl)amino]propyl]butanediamide;ethane
CID 143837667
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
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N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
CID 102064097
N-(2-aminoethyl)nonanamide
CID 13028008
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
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CID 119584250
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride (CID 119382280) is N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride is CCCN(CCC)C(=O)CCC(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride?
The InChIKey is BGOXBXQONAXWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-3-9-15(10-4-2)12(17)6-5-11(16)14-8-7-13;/h3-10,13H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride?
N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N',N'-dipropylbutanediamide;hydrochloride is sourced from PubChem (CID 119382280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).