N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine

C14H23N3O — CID 104516414

IUPACN-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine
SMILESCCNC1CCCCC(c2nccnc2OC)C1
InChIInChI=1S/C14H23N3O/c1-3-15-12-7-5-4-6-11(10-12)13-14(18-2)17-9-8-16-13/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyIPNJBJKASZAQPP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine

N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine (PubChem CID 104516414) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine
PubChem CID104516414
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine
SMILESCCNC1CCCCC(c2nccnc2OC)C1
InChIInChI=1S/C14H23N3O/c1-3-15-12-7-5-4-6-11(10-12)13-14(18-2)17-9-8-16-13/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyIPNJBJKASZAQPP-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine (CID 104516414) is N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine is CCNC1CCCCC(c2nccnc2OC)C1.
What is the InChIKey of N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine?
The InChIKey is IPNJBJKASZAQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-12-7-5-4-6-11(10-12)13-14(18-2)17-9-8-16-13/h8-9,11-12,15H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine?
N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 104516414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).