2-(3-methoxypropoxy)cyclododecan-1-amine

C16H33NO2 — CID 54936156

IUPAC2-(3-methoxypropoxy)cyclododecan-1-amine
SMILESCOCCCOC1CCCCCCCCCCC1N
InChIInChI=1S/C16H33NO2/c1-18-13-10-14-19-16-12-9-7-5-3-2-4-6-8-11-15(16)17/h15-16H,2-14,17H2,1H3
InChIKeyGUGZQTAFBLITMX-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-methoxypropoxy)cyclododecan-1-amine

2-(3-methoxypropoxy)cyclododecan-1-amine (PubChem CID 54936156) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)cyclododecan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)cyclododecan-1-amine
PubChem CID54936156
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-(3-methoxypropoxy)cyclododecan-1-amine
SMILESCOCCCOC1CCCCCCCCCCC1N
InChIInChI=1S/C16H33NO2/c1-18-13-10-14-19-16-12-9-7-5-3-2-4-6-8-11-15(16)17/h15-16H,2-14,17H2,1H3
InChIKeyGUGZQTAFBLITMX-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 2-(3-methoxypropoxy)cyclododecan-1-amine?
The IUPAC name of 2-(3-methoxypropoxy)cyclododecan-1-amine (CID 54936156) is 2-(3-methoxypropoxy)cyclododecan-1-amine.
What is the SMILES notation for 2-(3-methoxypropoxy)cyclododecan-1-amine?
The canonical SMILES for 2-(3-methoxypropoxy)cyclododecan-1-amine is COCCCOC1CCCCCCCCCCC1N.
What is the InChIKey of 2-(3-methoxypropoxy)cyclododecan-1-amine?
The InChIKey is GUGZQTAFBLITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-18-13-10-14-19-16-12-9-7-5-3-2-4-6-8-11-15(16)17/h15-16H,2-14,17H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)cyclododecan-1-amine?
2-(3-methoxypropoxy)cyclododecan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)cyclododecan-1-amine is sourced from PubChem (CID 54936156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).