7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium

C13H33N3+2 — CID 59061295

IUPAC7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium
SMILESCC(C)[NH2+]CCC[NH2+]CCCCCCCN
InChIInChI=1S/C13H31N3/c1-13(2)16-12-8-11-15-10-7-5-3-4-6-9-14/h13,15-16H,3-12,14H2,1-2H3/p+2
InChIKeyWWTVVZJVKUOKRR-UHFFFAOYSA-P
MW231.43 g/mol
LogP-0.18
Rot. Bonds12

About 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium

7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium (PubChem CID 59061295) has the molecular formula C13H33N3+2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium.

Molecular Properties

Compound Name7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium
PubChem CID59061295
Molecular FormulaC13H33N3+2
Molecular Weight231.43 g/mol
Exact Mass231.27
IUPAC Name7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium
SMILESCC(C)[NH2+]CCC[NH2+]CCCCCCCN
InChIInChI=1S/C13H31N3/c1-13(2)16-12-8-11-15-10-7-5-3-4-6-9-14/h13,15-16H,3-12,14H2,1-2H3/p+2
InChIKeyWWTVVZJVKUOKRR-UHFFFAOYSA-P
XLogP-0.18
TPSA59.24 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-aminohexyl-[4-(6-aminohexylazaniumyl)butyl]azanium;azane;platinum;dichloride;tetranitrate
CID 11557138
hexane-1,6-diamine;methanamine
CID 174275715
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
2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
CID 7020358
5-aminopentyl(methanidyl)azanium
CID 20723391
36-methylheptatriacontan-1-amine
CID 134324173
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853
decane-1,9-diamine
CID 23448369

Frequently Asked Questions

What is the IUPAC name of 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium?
The IUPAC name of 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium (CID 59061295) is 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium.
What is the SMILES notation for 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium?
The canonical SMILES for 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium is CC(C)[NH2+]CCC[NH2+]CCCCCCCN.
What is the InChIKey of 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium?
The InChIKey is WWTVVZJVKUOKRR-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H31N3/c1-13(2)16-12-8-11-15-10-7-5-3-4-6-9-14/h13,15-16H,3-12,14H2,1-2H3/p+2.
What are the key properties of 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium?
7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium has a molecular weight of 231.43 g/mol, XLogP of -0.18, 12 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium is sourced from PubChem (CID 59061295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).