N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)

C24H31F6N3O5 — CID 155860185

IUPACN-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(Cc1ccco1)C1CC2(CCN(Cc3cccn3C)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N3O.2C2HF3O2/c1-21-9-3-5-17(21)15-23-10-7-20(8-11-23)13-18(14-20)22(2)16-19-6-4-12-24-19;2*3-2(4,5)1(6)7/h3-6,9,12,18H,7-8,10-11,13-16H2,1-2H3;2*(H,6,7)
InChIKeyBKYFAIFEYJREQZ-UHFFFAOYSA-N
MW555.52 g/mol
LogP4.76
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)

N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155860185) has the molecular formula C24H31F6N3O5 and a molecular weight of 555.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155860185
Molecular FormulaC24H31F6N3O5
Molecular Weight555.52 g/mol
Exact Mass555.22
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(Cc1ccco1)C1CC2(CCN(Cc3cccn3C)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H29N3O.2C2HF3O2/c1-21-9-3-5-17(21)15-23-10-7-20(8-11-23)13-18(14-20)22(2)16-19-6-4-12-24-19;2*3-2(4,5)1(6)7/h3-6,9,12,18H,7-8,10-11,13-16H2,1-2H3;2*(H,6,7)
InChIKeyBKYFAIFEYJREQZ-UHFFFAOYSA-N
XLogP4.76
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840655
N-(furan-2-ylmethyl)-N-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155868886
N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155831585
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
2-[(1-methylpyrrol-2-yl)methyl]-7-prop-2-enyl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856710
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 171686108
9-(furan-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 118746910
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
4-ethyl-9-(furan-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155825272
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867
8-(5-ethylpyrimidin-2-yl)-N-(furan-2-ylmethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840163
3-ethyl-9-(furan-2-ylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide;2,2,2-trifluoroacetic acid
CID 155837639

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 155860185) is N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid) is CN(Cc1ccco1)C1CC2(CCN(Cc3cccn3C)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BKYFAIFEYJREQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.2C2HF3O2/c1-21-9-3-5-17(21)15-23-10-7-20(8-11-23)13-18(14-20)22(2)16-19-6-4-12-24-19;2*3-2(4,5)1(6)7/h3-6,9,12,18H,7-8,10-11,13-16H2,1-2H3;2*(H,6,7).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid)?
N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 555.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonan-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155860185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).