2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

C15H25F3N2O — CID 163245079

IUPAC2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
SMILESCNC1CC2(C1)CC(NC(CO)CC1(C(F)(F)F)CC1)C2
InChIInChI=1S/C15H25F3N2O/c1-19-10-4-13(5-10)6-11(7-13)20-12(9-21)8-14(2-3-14)15(16,17)18/h10-12,19-21H,2-9H2,1H3
InChIKeyCKSCUTOTUXKORN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.20
Rot. Bonds6

About 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol

2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (PubChem CID 163245079) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.

Molecular Properties

Compound Name2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
PubChem CID163245079
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
SMILESCNC1CC2(C1)CC(NC(CO)CC1(C(F)(F)F)CC1)C2
InChIInChI=1S/C15H25F3N2O/c1-19-10-4-13(5-10)6-11(7-13)20-12(9-21)8-14(2-3-14)15(16,17)18/h10-12,19-21H,2-9H2,1H3
InChIKeyCKSCUTOTUXKORN-UHFFFAOYSA-N
XLogP2.20
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The IUPAC name of 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol (CID 163245079) is 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol.
What is the SMILES notation for 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The canonical SMILES for 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is CNC1CC2(C1)CC(NC(CO)CC1(C(F)(F)F)CC1)C2.
What is the InChIKey of 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
The InChIKey is CKSCUTOTUXKORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-19-10-4-13(5-10)6-11(7-13)20-12(9-21)8-14(2-3-14)15(16,17)18/h10-12,19-21H,2-9H2,1H3.
What are the key properties of 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol?
2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol has a molecular weight of 306.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)spiro[3.3]heptan-2-yl]amino]-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol is sourced from PubChem (CID 163245079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).