7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine

C24H36N2O — CID 134469017

IUPAC7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CCN(CCOC)CC2)C1
InChIInChI=1S/C24H36N2O/c1-3-20(15-19-7-5-4-6-8-19)22-16-23(22)25-21-17-24(18-21)9-11-26(12-10-24)13-14-27-2/h4-8,15,21-23,25H,3,9-14,16-18H2,1-2H3/b20-15+/t22-,23+/m0/s1
InChIKeyJDFPKIMKIDPSPW-GZHOCHLDSA-N
MW368.57 g/mol
LogP4.35
Rot. Bonds8

About 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine

7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine (PubChem CID 134469017) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine
PubChem CID134469017
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CCN(CCOC)CC2)C1
InChIInChI=1S/C24H36N2O/c1-3-20(15-19-7-5-4-6-8-19)22-16-23(22)25-21-17-24(18-21)9-11-26(12-10-24)13-14-27-2/h4-8,15,21-23,25H,3,9-14,16-18H2,1-2H3/b20-15+/t22-,23+/m0/s1
InChIKeyJDFPKIMKIDPSPW-GZHOCHLDSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine (CID 134469017) is 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CC2(CCN(CCOC)CC2)C1.
What is the InChIKey of 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is JDFPKIMKIDPSPW-GZHOCHLDSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-20(15-19-7-5-4-6-8-19)22-16-23(22)25-21-17-24(18-21)9-11-26(12-10-24)13-14-27-2/h4-8,15,21-23,25H,3,9-14,16-18H2,1-2H3/b20-15+/t22-,23+/m0/s1.
What are the key properties of 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine?
7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 368.57 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 134469017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).