2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine

C13H23N3 — CID 106662388

IUPAC2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCc1cnn(C)c1
InChIInChI=1S/C13H23N3/c1-10-5-13(2,3)6-12(10)14-7-11-8-15-16(4)9-11/h8-10,12,14H,5-7H2,1-4H3
InChIKeyPPUBCSABSQJNRM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.33
Rot. Bonds3

About 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 106662388) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID106662388
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCc1cnn(C)c1
InChIInChI=1S/C13H23N3/c1-10-5-13(2,3)6-12(10)14-7-11-8-15-16(4)9-11/h8-10,12,14H,5-7H2,1-4H3
InChIKeyPPUBCSABSQJNRM-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
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-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106662637
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741701
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
CID 106662367
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
CID 102951612

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine (CID 106662388) is 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine is CC1CC(C)(C)CC1NCc1cnn(C)c1.
What is the InChIKey of 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is PPUBCSABSQJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-5-13(2,3)6-12(10)14-7-11-8-15-16(4)9-11/h8-10,12,14H,5-7H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).