2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol

C13H23N3O — CID 79867245

IUPAC2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol
SMILESCn1cc(CC2(CN)CCC(C)(C)C2O)cn1
InChIInChI=1S/C13H23N3O/c1-12(2)4-5-13(9-14,11(12)17)6-10-7-15-16(3)8-10/h7-8,11,17H,4-6,9,14H2,1-3H3
InChIKeyLVAKPALPVJAFLM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.09
Rot. Bonds3

About 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol

2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol (PubChem CID 79867245) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol
PubChem CID79867245
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol
SMILESCn1cc(CC2(CN)CCC(C)(C)C2O)cn1
InChIInChI=1S/C13H23N3O/c1-12(2)4-5-13(9-14,11(12)17)6-10-7-15-16(3)8-10/h7-8,11,17H,4-6,9,14H2,1-3H3
InChIKeyLVAKPALPVJAFLM-UHFFFAOYSA-N
XLogP1.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
CID 114534040
[2-[(1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 65394686
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855610
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62126227
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79865443
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
CID 65051805
2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855155
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127317
[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
CID 102999284
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
CID 66033317

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol (CID 79867245) is 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol is Cn1cc(CC2(CN)CCC(C)(C)C2O)cn1.
What is the InChIKey of 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is LVAKPALPVJAFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2)4-5-13(9-14,11(12)17)6-10-7-15-16(3)8-10/h7-8,11,17H,4-6,9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol?
2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5,5-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79867245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).