2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol

C25H38N2O — CID 170063545

IUPAC2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol
SMILESCC/C(=C\c1ccccc1)[C@@H]1CC1NC1CC2(CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C25H38N2O/c1-4-20(14-19-8-6-5-7-9-19)22-15-23(22)26-21-16-25(17-21)10-12-27(13-11-25)18-24(2,3)28/h5-9,14,21-23,26,28H,4,10-13,15-18H2,1-3H3/b20-14+/t22-,23?/m0/s1
InChIKeyHHANCFRYZZUDMN-YSVGSKNOSA-N
MW382.59 g/mol
LogP4.47
Rot. Bonds7

About 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol

2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol (PubChem CID 170063545) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol
PubChem CID170063545
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol
SMILESCC/C(=C\c1ccccc1)[C@@H]1CC1NC1CC2(CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C25H38N2O/c1-4-20(14-19-8-6-5-7-9-19)22-15-23(22)26-21-16-25(17-21)10-12-27(13-11-25)18-24(2,3)28/h5-9,14,21-23,26,28H,4,10-13,15-18H2,1-3H3/b20-14+/t22-,23?/m0/s1
InChIKeyHHANCFRYZZUDMN-YSVGSKNOSA-N
XLogP4.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol with MolForge

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Related Compounds

2-methyl-1-[2-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol
CID 134469199
(2R)-1-[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol
CID 134469033
1-[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-one
CID 157268330
4-[[2-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoic acid;dihydrochloride
CID 138677663
2-[2-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]ethanesulfonamide;dihydrochloride
CID 159995617
N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-propyl-2-azaspiro[3.3]heptan-6-amine
CID 147959106
3-methoxy-4-[[2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]methyl]benzoic acid
CID 122650156
2-[6-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanol
CID 155160251
2-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 122649863
2-(2,2-dimethyl-3-methylsulfonylpropyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 159799488
2-(2-aminoethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 159011849
N,N-dimethyl-2-[6-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide
CID 139481845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol (CID 170063545) is 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol is CC/C(=C\c1ccccc1)[C@@H]1CC1NC1CC2(CCN(CC(C)(C)O)CC2)C1.
What is the InChIKey of 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol?
The InChIKey is HHANCFRYZZUDMN-YSVGSKNOSA-N. The full InChI is InChI=1S/C25H38N2O/c1-4-20(14-19-8-6-5-7-9-19)22-15-23(22)26-21-16-25(17-21)10-12-27(13-11-25)18-24(2,3)28/h5-9,14,21-23,26,28H,4,10-13,15-18H2,1-3H3/b20-14+/t22-,23?/m0/s1.
What are the key properties of 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol?
2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol has a molecular weight of 382.59 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[(2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-7-azaspiro[3.5]nonan-7-yl]propan-2-ol is sourced from PubChem (CID 170063545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).