N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine

C22H54N8 — CID 21145819

IUPACN-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
SMILESCCCNCCNCCCNCCNCCNCCNCCCNCCNCCC
InChIInChI=1S/C22H54N8/c1-3-7-23-13-15-25-9-5-11-27-17-19-29-21-22-30-20-18-28-12-6-10-26-16-14-24-8-4-2/h23-30H,3-22H2,1-2H3
InChIKeyXVUXJBKZWKEKDQ-UHFFFAOYSA-N
MW430.73 g/mol
LogP-0.70
Rot. Bonds27

About N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine

N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine (PubChem CID 21145819) has the molecular formula C22H54N8 and a molecular weight of 430.73 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
PubChem CID21145819
Molecular FormulaC22H54N8
Molecular Weight430.73 g/mol
Exact Mass430.45
IUPAC NameN-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
SMILESCCCNCCNCCCNCCNCCNCCNCCCNCCNCCC
InChIInChI=1S/C22H54N8/c1-3-7-23-13-15-25-9-5-11-27-17-19-29-21-22-30-20-18-28-12-6-10-26-16-14-24-8-4-2/h23-30H,3-22H2,1-2H3
InChIKeyXVUXJBKZWKEKDQ-UHFFFAOYSA-N
XLogP-0.70
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 5-0.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine with MolForge

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Related Compounds

N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-propylhexadecan-1-amine
CID 18792182
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
CID 158681878
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine?
The IUPAC name of N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine (CID 21145819) is N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine?
The canonical SMILES for N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine is CCCNCCNCCCNCCNCCNCCNCCCNCCNCCC.
What is the InChIKey of N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine?
The InChIKey is XVUXJBKZWKEKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H54N8/c1-3-7-23-13-15-25-9-5-11-27-17-19-29-21-22-30-20-18-28-12-6-10-26-16-14-24-8-4-2/h23-30H,3-22H2,1-2H3.
What are the key properties of N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine?
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine has a molecular weight of 430.73 g/mol, XLogP of -0.70, 27 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 21145819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).