N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine

C13H34N6 — CID 175297988

IUPACN'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
SMILESNCCCN1CCNCC1.NCCCNCCCN
InChIInChI=1S/C7H17N3.C6H17N3/c8-2-1-5-10-6-3-9-4-7-10;7-3-1-5-9-6-2-4-8/h9H,1-8H2;9H,1-8H2
InChIKeyYYPUPRURIOBJSK-UHFFFAOYSA-N
MW274.46 g/mol
LogP-1.49
Rot. Bonds9

About N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine

N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine (PubChem CID 175297988) has the molecular formula C13H34N6 and a molecular weight of 274.46 g/mol. Its IUPAC name is N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
PubChem CID175297988
Molecular FormulaC13H34N6
Molecular Weight274.46 g/mol
Exact Mass274.28
IUPAC NameN'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
SMILESNCCCN1CCNCC1.NCCCNCCCN
InChIInChI=1S/C7H17N3.C6H17N3/c8-2-1-5-10-6-3-9-4-7-10;7-3-1-5-9-6-2-4-8/h9H,1-8H2;9H,1-8H2
InChIKeyYYPUPRURIOBJSK-UHFFFAOYSA-N
XLogP-1.49
TPSA105.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 142128574
5-piperazin-1-ylpentan-1-amine;hydrochloride
CID 86346240
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
4-(1,4-diazepan-1-yl)butan-1-amine
CID 64981149
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
CID 67423531

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine (CID 175297988) is N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine is NCCCN1CCNCC1.NCCCNCCCN.
What is the InChIKey of N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine?
The InChIKey is YYPUPRURIOBJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.C6H17N3/c8-2-1-5-10-6-3-9-4-7-10;7-3-1-5-9-6-2-4-8/h9H,1-8H2;9H,1-8H2.
What are the key properties of N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine?
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine has a molecular weight of 274.46 g/mol, XLogP of -1.49, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 175297988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).