7-(5-aminopentyl)tridecane-1,7,13-triamine

C18H42N4 — CID 135263766

IUPAC7-(5-aminopentyl)tridecane-1,7,13-triamine
SMILESNCCCCCCC(N)(CCCCCN)CCCCCCN
InChIInChI=1S/C18H42N4/c19-15-9-3-1-6-12-18(22,14-8-5-11-17-21)13-7-2-4-10-16-20/h1-17,19-22H2
InChIKeyXNPGRTSIMKTERK-UHFFFAOYSA-N
MW314.56 g/mol
LogP3.02
Rot. Bonds17

About 7-(5-aminopentyl)tridecane-1,7,13-triamine

7-(5-aminopentyl)tridecane-1,7,13-triamine (PubChem CID 135263766) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is 7-(5-aminopentyl)tridecane-1,7,13-triamine.

Molecular Properties

Compound Name7-(5-aminopentyl)tridecane-1,7,13-triamine
PubChem CID135263766
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC Name7-(5-aminopentyl)tridecane-1,7,13-triamine
SMILESNCCCCCCC(N)(CCCCCN)CCCCCCN
InChIInChI=1S/C18H42N4/c19-15-9-3-1-6-12-18(22,14-8-5-11-17-21)13-7-2-4-10-16-20/h1-17,19-22H2
InChIKeyXNPGRTSIMKTERK-UHFFFAOYSA-N
XLogP3.02
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 53.02
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

4-pentadecylheptane-1,4,7-triamine
CID 156536321
2-amino-2-(16-aminohexadecyl)propane-1,3-diol
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3-propylheptane-1,3,7-triamine
CID 57060059
1,1-dichlorooctane-1,8-diamine
CID 54561290
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592
11-methyldodecane-1,11-diamine;propane
CID 145179809
2,2-bis(aminomethyl)octane-1,8-diamine
CID 174940761
10,10,10-trifluorodecan-1-amine
CID 151642080
11-decylhenicosan-11-amine
CID 19847882

Frequently Asked Questions

What is the IUPAC name of 7-(5-aminopentyl)tridecane-1,7,13-triamine?
The IUPAC name of 7-(5-aminopentyl)tridecane-1,7,13-triamine (CID 135263766) is 7-(5-aminopentyl)tridecane-1,7,13-triamine.
What is the SMILES notation for 7-(5-aminopentyl)tridecane-1,7,13-triamine?
The canonical SMILES for 7-(5-aminopentyl)tridecane-1,7,13-triamine is NCCCCCCC(N)(CCCCCN)CCCCCCN.
What is the InChIKey of 7-(5-aminopentyl)tridecane-1,7,13-triamine?
The InChIKey is XNPGRTSIMKTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c19-15-9-3-1-6-12-18(22,14-8-5-11-17-21)13-7-2-4-10-16-20/h1-17,19-22H2.
What are the key properties of 7-(5-aminopentyl)tridecane-1,7,13-triamine?
7-(5-aminopentyl)tridecane-1,7,13-triamine has a molecular weight of 314.56 g/mol, XLogP of 3.02, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-aminopentyl)tridecane-1,7,13-triamine is sourced from PubChem (CID 135263766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).