N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine

C18H26N2O — CID 167270259

IUPACN-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESc1ccc(C2CC2NC2CCOC3(CCNCC3)C2)cc1
InChIInChI=1S/C18H26N2O/c1-2-4-14(5-3-1)16-12-17(16)20-15-6-11-21-18(13-15)7-9-19-10-8-18/h1-5,15-17,19-20H,6-13H2
InChIKeyPIGPVKDKDJTCHQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.43
Rot. Bonds3

About N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine

N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine (PubChem CID 167270259) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
PubChem CID167270259
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESc1ccc(C2CC2NC2CCOC3(CCNCC3)C2)cc1
InChIInChI=1S/C18H26N2O/c1-2-4-14(5-3-1)16-12-17(16)20-15-6-11-21-18(13-15)7-9-19-10-8-18/h1-5,15-17,19-20H,6-13H2
InChIKeyPIGPVKDKDJTCHQ-UHFFFAOYSA-N
XLogP2.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine (CID 167270259) is N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine is c1ccc(C2CC2NC2CCOC3(CCNCC3)C2)cc1.
What is the InChIKey of N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The InChIKey is PIGPVKDKDJTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-4-14(5-3-1)16-12-17(16)20-15-6-11-21-18(13-15)7-9-19-10-8-18/h1-5,15-17,19-20H,6-13H2.
What are the key properties of N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine?
N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine has a molecular weight of 286.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 167270259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).