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

C22H47N3 — CID 90675693

IUPACN'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine
SMILESNCCCNCCCNCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C22H47N3/c23-17-13-18-24-19-14-20-25-21-22-15-11-9-7-5-3-1-2-4-6-8-10-12-16-22/h22,24-25H,1-21,23H2
InChIKeyIWMBYYQYKQRBAA-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.00
Rot. Bonds9

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

N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine (PubChem CID 90675693) has the molecular formula C22H47N3 and a molecular weight of 353.64 g/mol. Its IUPAC name is N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine
PubChem CID90675693
Molecular FormulaC22H47N3
Molecular Weight353.64 g/mol
Exact Mass353.38
IUPAC NameN'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine
SMILESNCCCNCCCNCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C22H47N3/c23-17-13-18-24-19-14-20-25-21-22-15-11-9-7-5-3-1-2-4-6-8-10-12-16-22/h22,24-25H,1-21,23H2
InChIKeyIWMBYYQYKQRBAA-UHFFFAOYSA-N
XLogP5.00
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 55.00
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-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine (CID 90675693) is N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine is NCCCNCCCNCC1CCCCCCCCCCCCCC1.
What is the InChIKey of N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine?
The InChIKey is IWMBYYQYKQRBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3/c23-17-13-18-24-19-14-20-25-21-22-15-11-9-7-5-3-1-2-4-6-8-10-12-16-22/h22,24-25H,1-21,23H2.
What are the key properties of N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine?
N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine has a molecular weight of 353.64 g/mol, XLogP of 5.00, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopentadecylmethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 90675693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).