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

C13H23N3 — CID 104695058

IUPAC2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCn1nccc1CCNC1CCCC1(C)C
InChIInChI=1S/C13H23N3/c1-13(2)8-4-5-12(13)14-9-6-11-7-10-15-16(11)3/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyPETNQGOFCDJUCO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds4

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

2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 104695058) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
PubChem CID104695058
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCn1nccc1CCNC1CCCC1(C)C
InChIInChI=1S/C13H23N3/c1-13(2)8-4-5-12(13)14-9-6-11-7-10-15-16(11)3/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyPETNQGOFCDJUCO-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103005369
3-ethoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[3.3]heptan-1-amine
CID 104695163
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine (CID 104695058) is 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine is Cn1nccc1CCNC1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is PETNQGOFCDJUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2)8-4-5-12(13)14-9-6-11-7-10-15-16(11)3/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 104695058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).