N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine

C23H49N3 — CID 135321245

IUPACN'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine
SMILESNCCCNCCCNCCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C23H49N3/c24-18-13-19-25-20-14-21-26-22-17-23-15-11-9-7-5-3-1-2-4-6-8-10-12-16-23/h23,25-26H,1-22,24H2
InChIKeyMSPGFGUVJZWHOQ-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.39
Rot. Bonds10

About N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine

N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine (PubChem CID 135321245) has the molecular formula C23H49N3 and a molecular weight of 367.67 g/mol. Its IUPAC name is N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine
PubChem CID135321245
Molecular FormulaC23H49N3
Molecular Weight367.67 g/mol
Exact Mass367.39
IUPAC NameN'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine
SMILESNCCCNCCCNCCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C23H49N3/c24-18-13-19-25-20-14-21-26-22-17-23-15-11-9-7-5-3-1-2-4-6-8-10-12-16-23/h23,25-26H,1-22,24H2
InChIKeyMSPGFGUVJZWHOQ-UHFFFAOYSA-N
XLogP5.39
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine (CID 135321245) is N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine is NCCCNCCCNCCC1CCCCCCCCCCCCCC1.
What is the InChIKey of N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine?
The InChIKey is MSPGFGUVJZWHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3/c24-18-13-19-25-20-14-21-26-22-17-23-15-11-9-7-5-3-1-2-4-6-8-10-12-16-23/h23,25-26H,1-22,24H2.
What are the key properties of N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine?
N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine has a molecular weight of 367.67 g/mol, XLogP of 5.39, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-cyclopentadecylethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 135321245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).