1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine

C13H23NO — CID 104993569

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)C1C2CCCC21
InChIInChI=1S/C13H23NO/c14-12(7-6-9-3-2-8-15-9)13-10-4-1-5-11(10)13/h9-13H,1-8,14H2
InChIKeyVWWBKRQSWJFFTN-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.32
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine

1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993569) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993569
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine
SMILESNC(CCC1CCCO1)C1C2CCCC21
InChIInChI=1S/C13H23NO/c14-12(7-6-9-3-2-8-15-9)13-10-4-1-5-11(10)13/h9-13H,1-8,14H2
InChIKeyVWWBKRQSWJFFTN-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine (CID 104993569) is 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine is NC(CCC1CCCO1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is VWWBKRQSWJFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-12(7-6-9-3-2-8-15-9)13-10-4-1-5-11(10)13/h9-13H,1-8,14H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine?
1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).