N'-(4-pentadecoxybutyl)propane-1,3-diamine

C22H48N2O — CID 19938810

IUPACN'-(4-pentadecoxybutyl)propane-1,3-diamine
SMILESCCCCCCCCCCCCCCCOCCCCNCCCN
InChIInChI=1S/C22H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-25-22-16-14-19-24-20-17-18-23/h24H,2-23H2,1H3
InChIKeyJKAPDRGPEJQTBI-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.81
Rot. Bonds22

About N'-(4-pentadecoxybutyl)propane-1,3-diamine

N'-(4-pentadecoxybutyl)propane-1,3-diamine (PubChem CID 19938810) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is N'-(4-pentadecoxybutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-pentadecoxybutyl)propane-1,3-diamine
PubChem CID19938810
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC NameN'-(4-pentadecoxybutyl)propane-1,3-diamine
SMILESCCCCCCCCCCCCCCCOCCCCNCCCN
InChIInChI=1S/C22H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-25-22-16-14-19-24-20-17-18-23/h24H,2-23H2,1H3
InChIKeyJKAPDRGPEJQTBI-UHFFFAOYSA-N
XLogP5.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(Dodecyloxy)propyl)1,3-propanediamine
CID 104351
N-(3-Tridecoxypropyl)-1,3-propanediamine
CID 89154
Propanenitrile, 3-[[3-(tetradecyloxy)propyl]amino]-
CID 44144994
1,3-Propanediamine, N1-(3-(octyloxy)propyl)-
CID 106636
1,3-Propanediamine, N-[3-(tetradecyloxy)propyl]-
CID 109722
1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)-
CID 106643
1,3-Propanediamine, N1-[3-(hexadecyloxy)propyl]-
CID 106671
1,3-Propanediamine, N1-[3-(octadecyloxy)propyl]-
CID 111671
Propanenitrile, 3-[[3-(tridecyloxy)propyl]amino]-
CID 109895
N,N'-bis(14-ethoxytetradecyl)propane-1,3-diamine
CID 3085451
N'-(3-decoxypropyl)propane-1,3-diamine
CID 13956029
N'-(3-nonoxypropyl)propane-1,3-diamine
CID 14325604

Frequently Asked Questions

What is the IUPAC name of N'-(4-pentadecoxybutyl)propane-1,3-diamine?
The IUPAC name of N'-(4-pentadecoxybutyl)propane-1,3-diamine (CID 19938810) is N'-(4-pentadecoxybutyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-pentadecoxybutyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-pentadecoxybutyl)propane-1,3-diamine is CCCCCCCCCCCCCCCOCCCCNCCCN.
What is the InChIKey of N'-(4-pentadecoxybutyl)propane-1,3-diamine?
The InChIKey is JKAPDRGPEJQTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21-25-22-16-14-19-24-20-17-18-23/h24H,2-23H2,1H3.
What are the key properties of N'-(4-pentadecoxybutyl)propane-1,3-diamine?
N'-(4-pentadecoxybutyl)propane-1,3-diamine has a molecular weight of 356.64 g/mol, XLogP of 5.81, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pentadecoxybutyl)propane-1,3-diamine is sourced from PubChem (CID 19938810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).