N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C14H25N3 — CID 107188819

IUPACN-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1CCCC1(C)C
InChIInChI=1S/C14H25N3/c1-5-15-13(12-8-10-16-17(12)4)11-7-6-9-14(11,2)3/h8,10-11,13,15H,5-7,9H2,1-4H3
InChIKeyRDAGNDYNGKVBND-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds4

About N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 107188819) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID107188819
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1CCCC1(C)C
InChIInChI=1S/C14H25N3/c1-5-15-13(12-8-10-16-17(12)4)11-7-6-9-14(11,2)3/h8,10-11,13,15H,5-7,9H2,1-4H3
InChIKeyRDAGNDYNGKVBND-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
N-[(2-methylpyrazol-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105166196
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
N-[(2,2-dimethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 107191602
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 107188819) is N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccnn1C)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is RDAGNDYNGKVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-15-13(12-8-10-16-17(12)4)11-7-6-9-14(11,2)3/h8,10-11,13,15H,5-7,9H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107188819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).