1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C16H27N3 — CID 103012109

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CC2CCC1C2
InChIInChI=1S/C16H27N3/c1-3-17-16(7-6-14-8-9-18-19(14)2)15-11-12-4-5-13(15)10-12/h8-9,12-13,15-17H,3-7,10-11H2,1-2H3
InChIKeyFONYANQNVMMXJV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103012109) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103012109
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CC2CCC1C2
InChIInChI=1S/C16H27N3/c1-3-17-16(7-6-14-8-9-18-19(14)2)15-11-12-4-5-13(15)10-12/h8-9,12-13,15-17H,3-7,10-11H2,1-2H3
InChIKeyFONYANQNVMMXJV-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine with MolForge

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Related Compounds

1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030479
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027039
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
3-(2-methylpyrazol-3-yl)-N-propyl-1-(thian-2-yl)propan-1-amine
CID 103011691

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103012109) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is FONYANQNVMMXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-17-16(7-6-14-8-9-18-19(14)2)15-11-12-4-5-13(15)10-12/h8-9,12-13,15-17H,3-7,10-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103012109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).