N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine

C14H23N3O — CID 154745659

IUPACN-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCc1cn[nH]c1CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H23N3O/c1-11-9-16-17-13(11)10-15-12-4-7-18-14(8-12)5-2-3-6-14/h9,12,15H,2-8,10H2,1H3,(H,16,17)
InChIKeyMRPXFCQTDYGDTQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.30
Rot. Bonds3

About N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine

N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 154745659) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID154745659
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCc1cn[nH]c1CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H23N3O/c1-11-9-16-17-13(11)10-15-12-4-7-18-14(8-12)5-2-3-6-14/h9,12,15H,2-8,10H2,1H3,(H,16,17)
InChIKeyMRPXFCQTDYGDTQ-UHFFFAOYSA-N
XLogP2.30
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-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-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895206
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903736
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895398
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895902
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine (CID 154745659) is N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine is Cc1cn[nH]c1CNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is MRPXFCQTDYGDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-16-17-13(11)10-15-12-4-7-18-14(8-12)5-2-3-6-14/h9,12,15H,2-8,10H2,1H3,(H,16,17).
What are the key properties of N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 249.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 154745659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).