7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine

C19H26N4O — CID 167849804

IUPAC7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine
SMILESCn1nc(-c2ccccc2)cc1CNC1CC2(COC(CN)C2)C1
InChIInChI=1S/C19H26N4O/c1-23-16(7-18(22-23)14-5-3-2-4-6-14)12-21-15-8-19(9-15)10-17(11-20)24-13-19/h2-7,15,17,21H,8-13,20H2,1H3
InChIKeyFGCLPNBMQIGBOC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.07
Rot. Bonds5

About 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine

7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine (PubChem CID 167849804) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine
PubChem CID167849804
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine
SMILESCn1nc(-c2ccccc2)cc1CNC1CC2(COC(CN)C2)C1
InChIInChI=1S/C19H26N4O/c1-23-16(7-18(22-23)14-5-3-2-4-6-14)12-21-15-8-19(9-15)10-17(11-20)24-13-19/h2-7,15,17,21H,8-13,20H2,1H3
InChIKeyFGCLPNBMQIGBOC-UHFFFAOYSA-N
XLogP2.07
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine?
The IUPAC name of 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine (CID 167849804) is 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine.
What is the SMILES notation for 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine?
The canonical SMILES for 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine is Cn1nc(-c2ccccc2)cc1CNC1CC2(COC(CN)C2)C1.
What is the InChIKey of 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine?
The InChIKey is FGCLPNBMQIGBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23-16(7-18(22-23)14-5-3-2-4-6-14)12-21-15-8-19(9-15)10-17(11-20)24-13-19/h2-7,15,17,21H,8-13,20H2,1H3.
What are the key properties of 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine?
7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-[(1-methyl-3-phenylpyrazol-5-yl)methyl]-6-oxaspiro[3.4]octan-2-amine is sourced from PubChem (CID 167849804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).