N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C13H21N3O — CID 81434408

IUPACN-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCn1ccc(CNC2CCOC3(CCC3)C2)n1
InChIInChI=1S/C13H21N3O/c1-16-7-3-12(15-16)10-14-11-4-8-17-13(9-11)5-2-6-13/h3,7,11,14H,2,4-6,8-10H2,1H3
InChIKeyFAUVJUGZWHJFOC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds3

About N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 81434408) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID81434408
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCn1ccc(CNC2CCOC3(CCC3)C2)n1
InChIInChI=1S/C13H21N3O/c1-16-7-3-12(15-16)10-14-11-4-8-17-13(9-11)5-2-6-13/h3,7,11,14H,2,4-6,8-10H2,1H3
InChIKeyFAUVJUGZWHJFOC-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81455044
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895398
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 80689155
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83032808
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
N-[(1-methylpyrazol-3-yl)methyl]-1-oxothian-4-amine
CID 82881570

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 81434408) is N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine is Cn1ccc(CNC2CCOC3(CCC3)C2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is FAUVJUGZWHJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16-7-3-12(15-16)10-14-11-4-8-17-13(9-11)5-2-6-13/h3,7,11,14H,2,4-6,8-10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 235.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 81434408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).