N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C13H21N3 — CID 104695103

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1nccc1CCNC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-16-12(5-7-15-16)4-6-14-13-9-10-2-3-11(13)8-10/h5,7,10-11,13-14H,2-4,6,8-9H2,1H3
InChIKeyZZHUBOKDJGHETL-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 104695103) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID104695103
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1nccc1CCNC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-16-12(5-7-15-16)4-6-14-13-9-10-2-3-11(13)8-10/h5,7,10-11,13-14H,2-4,6,8-9H2,1H3
InChIKeyZZHUBOKDJGHETL-UHFFFAOYSA-N
XLogP1.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
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
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
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
CID 104695087
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 104695103) is N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cn1nccc1CCNC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZZHUBOKDJGHETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-12(5-7-15-16)4-6-14-13-9-10-2-3-11(13)8-10/h5,7,10-11,13-14H,2-4,6,8-9H2,1H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 104695103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).