N'-(1-tridecoxypropyl)propane-1,3-diamine

C19H42N2O — CID 22412585

IUPACN'-(1-tridecoxypropyl)propane-1,3-diamine
SMILESCCCCCCCCCCCCCOC(CC)NCCCN
InChIInChI=1S/C19H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-19(4-2)21-17-15-16-20/h19,21H,3-18,20H2,1-2H3
InChIKeyJEOJNZOIXJUREZ-UHFFFAOYSA-N
MW314.56 g/mol
LogP4.99
Rot. Bonds18

About N'-(1-tridecoxypropyl)propane-1,3-diamine

N'-(1-tridecoxypropyl)propane-1,3-diamine (PubChem CID 22412585) has the molecular formula C19H42N2O and a molecular weight of 314.56 g/mol. Its IUPAC name is N'-(1-tridecoxypropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-tridecoxypropyl)propane-1,3-diamine
PubChem CID22412585
Molecular FormulaC19H42N2O
Molecular Weight314.56 g/mol
Exact Mass314.33
IUPAC NameN'-(1-tridecoxypropyl)propane-1,3-diamine
SMILESCCCCCCCCCCCCCOC(CC)NCCCN
InChIInChI=1S/C19H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-19(4-2)21-17-15-16-20/h19,21H,3-18,20H2,1-2H3
InChIKeyJEOJNZOIXJUREZ-UHFFFAOYSA-N
XLogP4.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-decoxy-N-propylpropan-1-amine
CID 173331192
N-butyl-1-pentoxydecan-1-amine
CID 172707813
N-butyl-1-pentoxybutan-1-amine
CID 88850312
7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine
CID 175350299
N'-(3-hexadecan-3-yloxypropyl)propane-1,3-diamine
CID 57358453
1-N,1-N'-bis(3-aminopropyl)octane-1,1-diamine
CID 57162858
4,4-dioctadecoxybutan-1-amine
CID 87498240
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
1-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
1-decoxy-N-ethylundecan-1-amine
CID 172700916
2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol
CID 87840812
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424

Frequently Asked Questions

What is the IUPAC name of N'-(1-tridecoxypropyl)propane-1,3-diamine?
The IUPAC name of N'-(1-tridecoxypropyl)propane-1,3-diamine (CID 22412585) is N'-(1-tridecoxypropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-tridecoxypropyl)propane-1,3-diamine?
The canonical SMILES for N'-(1-tridecoxypropyl)propane-1,3-diamine is CCCCCCCCCCCCCOC(CC)NCCCN.
What is the InChIKey of N'-(1-tridecoxypropyl)propane-1,3-diamine?
The InChIKey is JEOJNZOIXJUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-19(4-2)21-17-15-16-20/h19,21H,3-18,20H2,1-2H3.
What are the key properties of N'-(1-tridecoxypropyl)propane-1,3-diamine?
N'-(1-tridecoxypropyl)propane-1,3-diamine has a molecular weight of 314.56 g/mol, XLogP of 4.99, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-tridecoxypropyl)propane-1,3-diamine is sourced from PubChem (CID 22412585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).