ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

C15H30FN3 — CID 156836674

IUPACethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CN1CC2(CCN(CC3CCN(F)C3)CC2)C1
InChIInChI=1S/C13H24FN3.C2H6/c1-15-10-13(11-15)3-6-16(7-4-13)8-12-2-5-17(14)9-12;1-2/h12H,2-11H2,1H3;1-2H3
InChIKeyPJUGWEWBPDHKSS-UHFFFAOYSA-N
MW271.42 g/mol
LogP2.25
Rot. Bonds2

About ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 156836674) has the molecular formula C15H30FN3 and a molecular weight of 271.42 g/mol. Its IUPAC name is ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID156836674
Molecular FormulaC15H30FN3
Molecular Weight271.42 g/mol
Exact Mass271.24
IUPAC Nameethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CN1CC2(CCN(CC3CCN(F)C3)CC2)C1
InChIInChI=1S/C13H24FN3.C2H6/c1-15-10-13(11-15)3-6-16(7-4-13)8-12-2-5-17(14)9-12;1-2/h12H,2-11H2,1H3;1-2H3
InChIKeyPJUGWEWBPDHKSS-UHFFFAOYSA-N
XLogP2.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 166466704
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 169319615
9-(cyclopropylmethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845215
[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium
CID 177319175
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866

Frequently Asked Questions

What is the IUPAC name of ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (CID 156836674) is ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is CC.CN1CC2(CCN(CC3CCN(F)C3)CC2)C1.
What is the InChIKey of ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is PJUGWEWBPDHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3.C2H6/c1-15-10-13(11-15)3-6-16(7-4-13)8-12-2-5-17(14)9-12;1-2/h12H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 271.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 156836674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).