2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine

C14H23N3O — CID 105032196

IUPAC2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)CC1CCCCCC1
InChIInChI=1S/C14H23N3O/c1-18-14-13(16-8-9-17-14)12(15)10-11-6-4-2-3-5-7-11/h8-9,11-12H,2-7,10,15H2,1H3
InChIKeyRNZNVYDEDVOWEX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.85
Rot. Bonds4

About 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine

2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 105032196) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID105032196
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCOc1nccnc1C(N)CC1CCCCCC1
InChIInChI=1S/C14H23N3O/c1-18-14-13(16-8-9-17-14)12(15)10-11-6-4-2-3-5-7-11/h8-9,11-12H,2-7,10,15H2,1H3
InChIKeyRNZNVYDEDVOWEX-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178630
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032228
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
2-(1-methoxycyclobutyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 103559774
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880
3-cyclopentyl-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 105032011
(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105178714
2-cyclohexylsulfanyl-1-(3-methoxypyrazin-2-yl)ethanol
CID 113421542
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
CID 114054414

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine (CID 105032196) is 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine is COc1nccnc1C(N)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is RNZNVYDEDVOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14-13(16-8-9-17-14)12(15)10-11-6-4-2-3-5-7-11/h8-9,11-12H,2-7,10,15H2,1H3.
What are the key properties of 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine?
2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 105032196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).