N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine

C14H23N3 — CID 102951612

IUPACN-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
SMILESCn1cc(CNC2CCC23CCCCC3)cn1
InChIInChI=1S/C14H23N3/c1-17-11-12(10-16-17)9-15-13-5-8-14(13)6-3-2-4-7-14/h10-11,13,15H,2-9H2,1H3
InChIKeyAKGUMUIOISTAIZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.62
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine

N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 102951612) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
PubChem CID102951612
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
SMILESCn1cc(CNC2CCC23CCCCC3)cn1
InChIInChI=1S/C14H23N3/c1-17-11-12(10-16-17)9-15-13-5-8-14(13)6-3-2-4-7-14/h10-11,13,15H,2-9H2,1H3
InChIKeyAKGUMUIOISTAIZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 43223186
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 61365369
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
2,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701041
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
CID 102951843
2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine (CID 102951612) is N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine is Cn1cc(CNC2CCC23CCCCC3)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is AKGUMUIOISTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-11-12(10-16-17)9-15-13-5-8-14(13)6-3-2-4-7-14/h10-11,13,15H,2-9H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine?
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).