[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine

C13H27NO2 — CID 62108129

IUPAC[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine
SMILESCC(C)OCCOC1(CN)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)15-9-10-16-13(11-14)7-5-3-4-6-8-13/h12H,3-11,14H2,1-2H3
InChIKeyPDYWPEINTAJPGJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.48
Rot. Bonds6

About [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine

[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine (PubChem CID 62108129) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine
PubChem CID62108129
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine
SMILESCC(C)OCCOC1(CN)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)15-9-10-16-13(11-14)7-5-3-4-6-8-13/h12H,3-11,14H2,1-2H3
InChIKeyPDYWPEINTAJPGJ-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.48
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-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine (CID 62108129) is [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine is CC(C)OCCOC1(CN)CCCCCC1.
What is the InChIKey of [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine?
The InChIKey is PDYWPEINTAJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)15-9-10-16-13(11-14)7-5-3-4-6-8-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine?
[1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-yloxyethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 62108129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).