[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C13H25NO — CID 106456768

IUPAC[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCCCOCCC1(CN)CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-2-6-15-7-5-13(10-14)9-11-3-4-12(13)8-11/h11-12H,2-10,14H2,1H3
InChIKeyXVVAEEGBUNVKAU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.57
Rot. Bonds6

About [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 106456768) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID106456768
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCCCOCCC1(CN)CC2CCC1C2
InChIInChI=1S/C13H25NO/c1-2-6-15-7-5-13(10-14)9-11-3-4-12(13)8-11/h11-12H,2-10,14H2,1H3
InChIKeyXVVAEEGBUNVKAU-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 106456768) is [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is CCCOCCC1(CN)CC2CCC1C2.
What is the InChIKey of [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is XVVAEEGBUNVKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-6-15-7-5-13(10-14)9-11-3-4-12(13)8-11/h11-12H,2-10,14H2,1H3.
What are the key properties of [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 106456768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).