N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide

C13H36Br4N4 — CID 162339984

IUPACN'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.CCNCCCNCCCNCCCCCN
InChIInChI=1S/C13H32N4.4BrH/c1-2-15-10-6-11-17-13-7-12-16-9-5-3-4-8-14;;;;/h15-17H,2-14H2,1H3;4*1H
InChIKeyGRMMZYIQHHYDBI-UHFFFAOYSA-N
MW568.08 g/mol
LogP3.00
Rot. Bonds14

About N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide

N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide (PubChem CID 162339984) has the molecular formula C13H36Br4N4 and a molecular weight of 568.08 g/mol. Its IUPAC name is N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide.

Molecular Properties

Compound NameN'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
PubChem CID162339984
Molecular FormulaC13H36Br4N4
Molecular Weight568.08 g/mol
Exact Mass563.97
IUPAC NameN'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.CCNCCCNCCCNCCCCCN
InChIInChI=1S/C13H32N4.4BrH/c1-2-15-10-6-11-17-13-7-12-16-9-5-3-4-8-14;;;;/h15-17H,2-14H2,1H3;4*1H
InChIKeyGRMMZYIQHHYDBI-UHFFFAOYSA-N
XLogP3.00
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.08
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
CID 165066014
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-butyloctadecane-1,18-diamine
CID 19427141

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide?
The IUPAC name of N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide (CID 162339984) is N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide.
What is the SMILES notation for N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide?
The canonical SMILES for N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide is Br.Br.Br.Br.CCNCCCNCCCNCCCCCN.
What is the InChIKey of N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide?
The InChIKey is GRMMZYIQHHYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4.4BrH/c1-2-15-10-6-11-17-13-7-12-16-9-5-3-4-8-14;;;;/h15-17H,2-14H2,1H3;4*1H.
What are the key properties of N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide?
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide has a molecular weight of 568.08 g/mol, XLogP of 3.00, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide is sourced from PubChem (CID 162339984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).