N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide

C16H37Br2N3O — CID 175205777

IUPACN-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC(=O)NCCNCCN
InChIInChI=1S/C16H35N3O.2BrH/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17;;/h18H,2-15,17H2,1H3,(H,19,20);2*1H
InChIKeyDURIYVXSUYWDGJ-UHFFFAOYSA-N
MW447.30 g/mol
LogP3.73
Rot. Bonds15

About N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide

N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide (PubChem CID 175205777) has the molecular formula C16H37Br2N3O and a molecular weight of 447.30 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
PubChem CID175205777
Molecular FormulaC16H37Br2N3O
Molecular Weight447.30 g/mol
Exact Mass445.13
IUPAC NameN-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC(=O)NCCNCCN
InChIInChI=1S/C16H35N3O.2BrH/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17;;/h18H,2-15,17H2,1H3,(H,19,20);2*1H
InChIKeyDURIYVXSUYWDGJ-UHFFFAOYSA-N
XLogP3.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
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CID 71344394
(Z)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CID 20836285
N-(2-aminoethyl)nonanamide
CID 13028008
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadeca-9,12-dienamide
CID 3023011
(9E,12E)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 6366313
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide (CID 175205777) is N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide is Br.Br.CCCCCCCCCCCC(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide?
The InChIKey is DURIYVXSUYWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O.2BrH/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17;;/h18H,2-15,17H2,1H3,(H,19,20);2*1H.
What are the key properties of N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide?
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide has a molecular weight of 447.30 g/mol, XLogP of 3.73, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide is sourced from PubChem (CID 175205777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).