1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine

C13H27NO2 — CID 102927906

IUPAC1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)C1CCCCCC1
InChIInChI=1S/C13H27NO2/c1-15-10-11-16-9-8-13(14)12-6-4-2-3-5-7-12/h12-13H,2-11,14H2,1H3
InChIKeyCDMBORVUNMITRC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds7

About 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine

1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102927906) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102927906
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)C1CCCCCC1
InChIInChI=1S/C13H27NO2/c1-15-10-11-16-9-8-13(14)12-6-4-2-3-5-7-12/h12-13H,2-11,14H2,1H3
InChIKeyCDMBORVUNMITRC-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
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 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine (CID 102927906) is 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine is COCCOCCC(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is CDMBORVUNMITRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-15-10-11-16-9-8-13(14)12-6-4-2-3-5-7-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine?
1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102927906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).