1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine

C14H27NO2 — CID 102927995

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27NO2/c1-16-6-7-17-5-4-14(15)10-13-9-11-2-3-12(13)8-11/h11-14H,2-10,15H2,1H3
InChIKeyDJRUOZQVHSRHQF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.19
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102927995) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102927995
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)CC1CC2CCC1C2
InChIInChI=1S/C14H27NO2/c1-16-6-7-17-5-4-14(15)10-13-9-11-2-3-12(13)8-11/h11-14H,2-10,15H2,1H3
InChIKeyDJRUOZQVHSRHQF-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.19
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-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine (CID 102927995) is 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine is COCCOCCC(N)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is DJRUOZQVHSRHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-16-6-7-17-5-4-14(15)10-13-9-11-2-3-12(13)8-11/h11-14H,2-10,15H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 241.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102927995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).