N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine

C16H25N3 — CID 81030101

IUPACN-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2cnccn2)C1
InChIInChI=1S/C16H25N3/c1-2-12-3-4-13(10-19-14-5-6-14)15(9-12)16-11-17-7-8-18-16/h7-8,11-15,19H,2-6,9-10H2,1H3
InChIKeyFOIVTUGNGOCGSE-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.14
Rot. Bonds5

About N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine

N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030101) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030101
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2cnccn2)C1
InChIInChI=1S/C16H25N3/c1-2-12-3-4-13(10-19-14-5-6-14)15(9-12)16-11-17-7-8-18-16/h7-8,11-15,19H,2-6,9-10H2,1H3
InChIKeyFOIVTUGNGOCGSE-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine (CID 81030101) is N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(c2cnccn2)C1.
What is the InChIKey of N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is FOIVTUGNGOCGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-12-3-4-13(10-19-14-5-6-14)15(9-12)16-11-17-7-8-18-16/h7-8,11-15,19H,2-6,9-10H2,1H3.
What are the key properties of N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).