N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine

C17H29N3 — CID 114817861

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
SMILESCCc1nn(C)cc1CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H29N3/c1-3-16-14(13-20(2)19-16)12-18-15-6-10-17(11-7-15)8-4-5-9-17/h13,15,18H,3-12H2,1-2H3
InChIKeyMOCYLWFCNIPUFU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine (PubChem CID 114817861) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
PubChem CID114817861
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
SMILESCCc1nn(C)cc1CNC1CCC2(CCCC2)CC1
InChIInChI=1S/C17H29N3/c1-3-16-14(13-20(2)19-16)12-18-15-6-10-17(11-7-15)8-4-5-9-17/h13,15,18H,3-12H2,1-2H3
InChIKeyMOCYLWFCNIPUFU-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115885666
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine (CID 114817861) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine is CCc1nn(C)cc1CNC1CCC2(CCCC2)CC1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine?
The InChIKey is MOCYLWFCNIPUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-16-14(13-20(2)19-16)12-18-15-6-10-17(11-7-15)8-4-5-9-17/h13,15,18H,3-12H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine has a molecular weight of 275.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).