2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine

C12H21N3 — CID 82869007

IUPAC2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ccc(CC2(N)CCCC2(C)C)n1
InChIInChI=1S/C12H21N3/c1-11(2)6-4-7-12(11,13)9-10-5-8-15(3)14-10/h5,8H,4,6-7,9,13H2,1-3H3
InChIKeyXUFGUYHCRVWQDL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.87
Rot. Bonds2

About 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 82869007) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID82869007
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ccc(CC2(N)CCCC2(C)C)n1
InChIInChI=1S/C12H21N3/c1-11(2)6-4-7-12(11,13)9-10-5-8-15(3)14-10/h5,8H,4,6-7,9,13H2,1-3H3
InChIKeyXUFGUYHCRVWQDL-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 82869700
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 115680433
4,4-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82871115
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine (CID 82869007) is 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine is Cn1ccc(CC2(N)CCCC2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is XUFGUYHCRVWQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)6-4-7-12(11,13)9-10-5-8-15(3)14-10/h5,8H,4,6-7,9,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 82869007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).