1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine

C19H48N8 — CID 174924471

IUPAC1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine
SMILESNCCCC(N)CCN(CCCN)CCNCCN(CCCN)CCCN
InChIInChI=1S/C19H48N8/c20-7-1-5-19(24)6-16-27(15-4-10-23)18-12-25-11-17-26(13-2-8-21)14-3-9-22/h19,25H,1-18,20-24H2
InChIKeyLJOQMQSTUFLYBZ-UHFFFAOYSA-N
MW388.65 g/mol
LogP-1.32
Rot. Bonds21

About 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine

1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine (PubChem CID 174924471) has the molecular formula C19H48N8 and a molecular weight of 388.65 g/mol. Its IUPAC name is 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine.

Molecular Properties

Compound Name1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine
PubChem CID174924471
Molecular FormulaC19H48N8
Molecular Weight388.65 g/mol
Exact Mass388.40
IUPAC Name1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine
SMILESNCCCC(N)CCN(CCCN)CCNCCN(CCCN)CCCN
InChIInChI=1S/C19H48N8/c20-7-1-5-19(24)6-16-27(15-4-10-23)18-12-25-11-17-26(13-2-8-21)14-3-9-22/h19,25H,1-18,20-24H2
InChIKeyLJOQMQSTUFLYBZ-UHFFFAOYSA-N
XLogP-1.32
TPSA148.61 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.65
LogP ≤ 5-1.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine with MolForge

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Related Compounds

7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879
1-N,1-N-di(nonyl)decane-1,3,10-triamine
CID 156535844
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine
CID 153410752
tridecane-1,4,7,10,13-pentamine
CID 86224803
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N,N'-bis(3-aminopropyl)-N'-[3-(ethylamino)propyl]heptane-1,7-diamine;pentahydrobromide
CID 158407936

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine?
The IUPAC name of 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine (CID 174924471) is 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine.
What is the SMILES notation for 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine?
The canonical SMILES for 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine is NCCCC(N)CCN(CCCN)CCNCCN(CCCN)CCCN.
What is the InChIKey of 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine?
The InChIKey is LJOQMQSTUFLYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H48N8/c20-7-1-5-19(24)6-16-27(15-4-10-23)18-12-25-11-17-26(13-2-8-21)14-3-9-22/h19,25H,1-18,20-24H2.
What are the key properties of 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine?
1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine has a molecular weight of 388.65 g/mol, XLogP of -1.32, 21 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine is sourced from PubChem (CID 174924471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).